1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

C171H259N17O10S2 — CID 158162891

About 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 158162891) has the molecular formula C171H259N17O10S2 and a molecular weight of 2777.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
• PubChem CID: 158162891
• Molecular Formula: C171H259N17O10S2
• Molecular Weight: 2777.20 g/mol
• Exact Mass: 2774.97
• IUPAC Name: 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
• SMILES: CC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.COCCN1CCN(c2ccc(C(C)C)cc2)CC1
• InChI: InChI=1S/C16H26N2O.C15H24N2.C14H22N2.C14H21NO.C14H21N.C14H20O.2C13H20N2.C13H19NO.C12H18N2O2S.C12H18N2O.C11H16O2S.C10H14O/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-19-3;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-6-4-10(5-7-11)8-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10/h4-7,14H,8-13H2,1-3H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3
• InChIKey: FWMMBWUANDEXIK-UHFFFAOYSA-N
• XLogP: 33.52
• TPSA: 236.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2777.20
LogP ≤ 5	33.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?

The IUPAC name of 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (CID 158162891) is 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?

The canonical SMILES for 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is CC(C)c1ccc(C2CCNCC2)cc1.CC(C)c1ccc(C2CCOCC2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.COCCN1CCN(c2ccc(C(C)C)cc2)CC1.

What is the InChIKey of 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?

The InChIKey is FWMMBWUANDEXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C15H24N2.C14H22N2.C14H21NO.C14H21N.C14H20O.2C13H20N2.C13H19NO.C12H18N2O2S.C12H18N2O.C11H16O2S.C10H14O/c1-14(2)15-4-6-16(7-5-15)18-10-8-17(9-11-18)12-13-19-3;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)11-6-4-10(5-7-11)8-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10/h4-7,14H,8-13H2,1-3H3;4-7,13H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3.

What are the key properties of 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?

1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 2777.20 g/mol, XLogP of 33.52, 32 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 158162891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).