[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol

C116H138ClN5O6 — CID 158928910

IUPAC[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(C)(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1.CC(C)(C)c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC1(c2ccc(CCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2)COC1.OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H39NO2.C30H35NO2.C29H36N2O.C26H28ClNO/c1-30(2,3)25-15-17-29(18-16-25)34-24-10-21-32-22-19-28(20-23-32)31(33,26-11-6-4-7-12-26)27-13-8-5-9-14-27;1-29(22-33-23-29)25-14-12-24(13-15-25)16-19-31-20-17-28(18-21-31)30(32,26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-28(2,3)27-15-14-23(22-30-27)16-19-31-20-17-26(18-21-31)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25;27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h4-9,11-18,28,33H,10,19-24H2,1-3H3;2-15,28,32H,16-23H2,1H3;4-15,22,26,32H,16-21H2,1-3H3;1-14,24,29H,15-20H2
InChIKeyJIUHVVDWHOXIFN-UHFFFAOYSA-N
MW1733.86 g/mol
LogP22.67
Rot. Bonds27

About [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol

[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 158928910) has the molecular formula C116H138ClN5O6 and a molecular weight of 1733.86 g/mol. Its IUPAC name is [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID158928910
Molecular FormulaC116H138ClN5O6
Molecular Weight1733.86 g/mol
Exact Mass1732.03
IUPAC Name[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(C)(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1.CC(C)(C)c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC1(c2ccc(CCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2)COC1.OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H39NO2.C30H35NO2.C29H36N2O.C26H28ClNO/c1-30(2,3)25-15-17-29(18-16-25)34-24-10-21-32-22-19-28(20-23-32)31(33,26-11-6-4-7-12-26)27-13-8-5-9-14-27;1-29(22-33-23-29)25-14-12-24(13-15-25)16-19-31-20-17-28(18-21-31)30(32,26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-28(2,3)27-15-14-23(22-30-27)16-19-31-20-17-26(18-21-31)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25;27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h4-9,11-18,28,33H,10,19-24H2,1-3H3;2-15,28,32H,16-23H2,1H3;4-15,22,26,32H,16-21H2,1-3H3;1-14,24,29H,15-20H2
InChIKeyJIUHVVDWHOXIFN-UHFFFAOYSA-N
XLogP22.67
TPSA125.23 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.86
LogP ≤ 522.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol with MolForge

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Related Compounds

3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-(2-methylpropyl)-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;1-fluoro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-fluoro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene
CID 161038739
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-2,2,2-trifluoro-N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]propan-2-amine;N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]propan-2-amine;N-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]propan-2-amine;(1R)-N-methyl-1-(4-methylphenyl)-1-pyridin-2-yl-N-[[1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]methanamine
CID 161397764
3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;ethane;1-fluoro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;2-[(1S)-1-phenylethyl]pyridine;2-[(1R)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene
CID 161760406
1-[6-(4-Chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
CID 167548884
5,5'-Bis(3-(4-(1-(1-(4-(3-(5-(2-(2-(5-(3-hydroxypropyl)pyridine)))pyridine)propyl)oxyphenyl)cyclohexyl))phenoxy)propyl)-2,2'-bipyridine
CID 44552575
1-[2-[4-[2-[5-(4-Chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]-4-propan-2-ylpiperidin-4-ol
CID 11598081
1-[2-[4-[2-[5-(4-Chlorophenyl)-2-pyridinyl]ethynyl]-2-methylphenoxy]ethyl]-4-phenylpiperidin-4-ol
CID 59835859
4-(4-Chlorophenyl)-3,3-dimethyl-1-[3-[9-(2-morpholin-4-ylethoxy)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]propyl]piperidin-4-ol
CID 68095205
4-(4-chlorophenyl)-3-methyl-1-[(3E)-3-[9-(2-methylhexan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]piperidin-4-ol
CID 70668732
1-[2-[4-[5-(4-Chlorophenyl)-2-pyridinyl]-2-methylphenoxy]ethyl]-4-phenylpiperidin-4-ol
CID 71028852
5-[3-[(4-Butoxyphenyl)methyl]-1,5-bis(6-chloro-3-pyridinyl)-2-(4-ethoxyphenyl)-4-(4-propoxyphenyl)pentan-3-yl]-2-chloropyridine
CID 88512429
1-[3-(9-Tert-butyl-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)propyl]-4-(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 129166729

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol (CID 158928910) is [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol is CC(C)(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cn1.CC(C)(C)c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC1(c2ccc(CCN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2)COC1.OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is JIUHVVDWHOXIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO2.C30H35NO2.C29H36N2O.C26H28ClNO/c1-30(2,3)25-15-17-29(18-16-25)34-24-10-21-32-22-19-28(20-23-32)31(33,26-11-6-4-7-12-26)27-13-8-5-9-14-27;1-29(22-33-23-29)25-14-12-24(13-15-25)16-19-31-20-17-28(18-21-31)30(32,26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-28(2,3)27-15-14-23(22-30-27)16-19-31-20-17-26(18-21-31)29(32,24-10-6-4-7-11-24)25-12-8-5-9-13-25;27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h4-9,11-18,28,33H,10,19-24H2,1-3H3;2-15,28,32H,16-23H2,1H3;4-15,22,26,32H,16-21H2,1-3H3;1-14,24,29H,15-20H2.
What are the key properties of [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 1733.86 g/mol, XLogP of 22.67, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(6-tert-butyl-3-pyridinyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-diphenylmethanol;[1-[2-[4-(3-methyloxetan-3-yl)phenyl]ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 158928910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).