(3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine

C162H258F3N17O3 — CID 158392491

About (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine

(3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine (PubChem CID 158392491) has the molecular formula C162H258F3N17O3 and a molecular weight of 2548.96 g/mol. Its IUPAC name is (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine.

Molecular Properties

• Compound Name: (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine
• PubChem CID: 158392491
• Molecular Formula: C162H258F3N17O3
• Molecular Weight: 2548.96 g/mol
• Exact Mass: 2547.05
• IUPAC Name: (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine
• SMILES: CC(C)(C)Cc1ccc(N2CCNCC2)c(F)c1.CC(C)(C)Cc1ccc(N2CCNCC2)cc1.CC(C)(C)Cc1ccc(NC2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCNCC2)cc1.CC1CN(c2ccc(CC(C)(C)C)cc2F)CCN1.CN(c1ccc(CC(C)(C)C)cc1)C1CCNCC1.CN1CCCC(Nc2ccc(CC(C)(C)C)cc2)C1.CN1CCCC(Oc2ccc(CC(C)(C)C)cc2)C1.C[C@@H]1CN(c2ccc(CC(C)(C)C)cc2F)C[C@H](C)N1
• InChI: InChI=1S/C17H27FN2.2C17H28N2.C17H27NO.C16H25FN2.C16H26N2.2C16H25NO.C15H23FN2.C15H24N2/c1-12-10-20(11-13(2)19-12)16-7-6-14(8-15(16)18)9-17(3,4)5;1-17(2,3)13-14-5-7-15(8-6-14)19(4)16-9-11-18-12-10-16;1-17(2,3)12-14-7-9-15(10-8-14)18-16-6-5-11-19(4)13-16;1-17(2,3)12-14-7-9-15(10-8-14)19-16-6-5-11-18(4)13-16;1-12-11-19(8-7-18-12)15-6-5-13(9-14(15)17)10-16(2,3)4;1-16(2,3)11-13-6-8-14(9-7-13)18-15-5-4-10-17-12-15;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)18-15-5-4-10-17-12-15;1-15(2,3)11-12-4-5-14(13(16)10-12)18-8-6-17-7-9-18;1-15(2,3)12-13-4-6-14(7-5-13)17-10-8-16-9-11-17/h6-8,12-13,19H,9-11H2,1-5H3;5-8,16,18H,9-13H2,1-4H3;7-10,16,18H,5-6,11-13H2,1-4H3;7-10,16H,5-6,11-13H2,1-4H3;5-6,9,12,18H,7-8,10-11H2,1-4H3;6-9,15,17-18H,4-5,10-12H2,1-3H3;4-7,15,17H,8-12H2,1-3H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-5,10,17H,6-9,11H2,1-3H3;4-7,16H,8-12H2,1-3H3/t12-,13+
• InChIKey: GXDDPXQMYNQNJP-APWGLTIISA-N
• XLogP: 33.57
• TPSA: 170.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2548.96
LogP ≤ 5	33.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine?

The IUPAC name of (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine (CID 158392491) is (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine.

What is the SMILES notation for (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine?

The canonical SMILES for (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine is CC(C)(C)Cc1ccc(N2CCNCC2)c(F)c1.CC(C)(C)Cc1ccc(N2CCNCC2)cc1.CC(C)(C)Cc1ccc(NC2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCNCC2)cc1.CC1CN(c2ccc(CC(C)(C)C)cc2F)CCN1.CN(c1ccc(CC(C)(C)C)cc1)C1CCNCC1.CN1CCCC(Nc2ccc(CC(C)(C)C)cc2)C1.CN1CCCC(Oc2ccc(CC(C)(C)C)cc2)C1.C[C@@H]1CN(c2ccc(CC(C)(C)C)cc2F)C[C@H](C)N1.

What is the InChIKey of (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine?

The InChIKey is GXDDPXQMYNQNJP-APWGLTIISA-N. The full InChI is InChI=1S/C17H27FN2.2C17H28N2.C17H27NO.C16H25FN2.C16H26N2.2C16H25NO.C15H23FN2.C15H24N2/c1-12-10-20(11-13(2)19-12)16-7-6-14(8-15(16)18)9-17(3,4)5;1-17(2,3)13-14-5-7-15(8-6-14)19(4)16-9-11-18-12-10-16;1-17(2,3)12-14-7-9-15(10-8-14)18-16-6-5-11-19(4)13-16;1-17(2,3)12-14-7-9-15(10-8-14)19-16-6-5-11-18(4)13-16;1-12-11-19(8-7-18-12)15-6-5-13(9-14(15)17)10-16(2,3)4;1-16(2,3)11-13-6-8-14(9-7-13)18-15-5-4-10-17-12-15;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)18-15-5-4-10-17-12-15;1-15(2,3)11-12-4-5-14(13(16)10-12)18-8-6-17-7-9-18;1-15(2,3)12-13-4-6-14(7-5-13)17-10-8-16-9-11-17/h6-8,12-13,19H,9-11H2,1-5H3;5-8,16,18H,9-13H2,1-4H3;7-10,16,18H,5-6,11-13H2,1-4H3;7-10,16H,5-6,11-13H2,1-4H3;5-6,9,12,18H,7-8,10-11H2,1-4H3;6-9,15,17-18H,4-5,10-12H2,1-3H3;4-7,15,17H,8-12H2,1-3H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-5,10,17H,6-9,11H2,1-3H3;4-7,16H,8-12H2,1-3H3/t12-,13+;;;;;;;;;.

What are the key properties of (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine?

(3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine has a molecular weight of 2548.96 g/mol, XLogP of 33.57, 26 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3,5-dimethylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylpiperazine;1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]piperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-4-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 158392491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).