(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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine

C128H203F3N14O2 — CID 158723198

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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine

(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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine (PubChem CID 158723198) has the molecular formula C128H203F3N14O2 and a molecular weight of 2027.12 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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine.

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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine
• PubChem CID: 158723198
• Molecular Formula: C128H203F3N14O2
• Molecular Weight: 2027.12 g/mol
• Exact Mass: 2025.62
• 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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine
• SMILES: CC(C)(C)Cc1ccc(N2CCNCC2)c(F)c1.CC(C)(C)Cc1ccc(N2CCNCC2)cc1.CC(C)(C)Cc1ccc(NC2CCCNC2)cc1.CC(C)Cc1ccc(OC2CCCNC2)cc1.CC1CN(c2ccc(CC(C)(C)C)cc2F)CCN1.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.C17H28N2.C17H27NO.C16H25FN2.C16H26N2.C15H23FN2.C15H24N2.C15H23NO/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)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;1-15(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;1-12(2)10-13-5-7-14(8-6-13)17-15-4-3-9-16-11-15/h6-8,12-13,19H,9-11H2,1-5H3;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;4-5,10,17H,6-9,11H2,1-3H3;4-7,16H,8-12H2,1-3H3;5-8,12,15-16H,3-4,9-11H2,1-2H3/t12-,13+
• InChIKey: IKEDKXZUDLTVFR-WCRYDIRUSA-N
• XLogP: 26.31
• TPSA: 134.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2027.12
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine?

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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine (CID 158723198) 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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine.

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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine?

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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine is CC(C)(C)Cc1ccc(N2CCNCC2)c(F)c1.CC(C)(C)Cc1ccc(N2CCNCC2)cc1.CC(C)(C)Cc1ccc(NC2CCCNC2)cc1.CC(C)Cc1ccc(OC2CCCNC2)cc1.CC1CN(c2ccc(CC(C)(C)C)cc2F)CCN1.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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine?

The InChIKey is IKEDKXZUDLTVFR-WCRYDIRUSA-N. The full InChI is InChI=1S/C17H27FN2.C17H28N2.C17H27NO.C16H25FN2.C16H26N2.C15H23FN2.C15H24N2.C15H23NO/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)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;1-15(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;1-12(2)10-13-5-7-14(8-6-13)17-15-4-3-9-16-11-15/h6-8,12-13,19H,9-11H2,1-5H3;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;4-5,10,17H,6-9,11H2,1-3H3;4-7,16H,8-12H2,1-3H3;5-8,12,15-16H,3-4,9-11H2,1-2H3/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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine?

(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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine has a molecular weight of 2027.12 g/mol, XLogP of 26.31, 21 rotatable bonds, 8 hydrogen bond donors, and 16 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;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-3-amine;1-[4-(2,2-dimethylpropyl)phenyl]piperazine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-3-amine;3-[4-(2-methylpropyl)phenoxy]piperidine is sourced from PubChem (CID 158723198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).