[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

C26H31NO2 — CID 98138424

IUPAC[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1[C@H]2CCCC[C@H]12)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H31NO2/c28-25(24-22-13-7-8-14-23(22)24)27-17-15-21(16-18-27)26(29,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-24,29H,7-8,13-18H2/t22-,23-/m0/s1
InChIKeyQTTHHWQAKPVMDW-GOTSBHOMSA-N
MW389.54 g/mol
LogP4.60
Rot. Bonds4

About [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 98138424) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
PubChem CID98138424
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1[C@H]2CCCC[C@H]12)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H31NO2/c28-25(24-22-13-7-8-14-23(22)24)27-17-15-21(16-18-27)26(29,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-24,29H,7-8,13-18H2/t22-,23-/m0/s1
InChIKeyQTTHHWQAKPVMDW-GOTSBHOMSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
CID 4660551
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 44756569
tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 155162953
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120750246

Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (CID 98138424) is [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is O=C(C1[C@H]2CCCC[C@H]12)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is QTTHHWQAKPVMDW-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H31NO2/c28-25(24-22-13-7-8-14-23(22)24)27-17-15-21(16-18-27)26(29,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-24,29H,7-8,13-18H2/t22-,23-/m0/s1.
What are the key properties of [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 389.54 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 98138424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).