benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium

C18H22NO+ — CID 6946967

IUPACbenzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium
SMILESO[C@@]1(c2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1
InChIInChI=1S/C18H21NO/c20-18(16-10-5-2-6-11-16)13-7-12-17(18)19-14-15-8-3-1-4-9-15/h1-6,8-11,17,19-20H,7,12-14H2/p+1/t17-,18+/m0/s1
InChIKeyGETWLPVVXVVUEZ-ZWKOTPCHSA-O
MW268.38 g/mol
LogP2.19
Rot. Bonds4

About benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium

benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium (PubChem CID 6946967) has the molecular formula C18H22NO+ and a molecular weight of 268.38 g/mol. Its IUPAC name is benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium.

Molecular Properties

Compound Namebenzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium
PubChem CID6946967
Molecular FormulaC18H22NO+
Molecular Weight268.38 g/mol
Exact Mass268.17
IUPAC Namebenzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium
SMILESO[C@@]1(c2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1
InChIInChI=1S/C18H21NO/c20-18(16-10-5-2-6-11-16)13-7-12-17(18)19-14-15-8-3-1-4-9-15/h1-6,8-11,17,19-20H,7,12-14H2/p+1/t17-,18+/m0/s1
InChIKeyGETWLPVVXVVUEZ-ZWKOTPCHSA-O
XLogP2.19
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 92978161
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cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
(2S)-2-(methylamino)-1-phenylcyclopentan-1-ol
CID 70572348
1-benzyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 563820
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298
(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
CID 10564133
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
2-benzyl-3-phenylpiperidin-3-ol;hydrochloride
CID 117067643
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 23309137
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium?
The IUPAC name of benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium (CID 6946967) is benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium.
What is the SMILES notation for benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium?
The canonical SMILES for benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium is O[C@@]1(c2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1.
What is the InChIKey of benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium?
The InChIKey is GETWLPVVXVVUEZ-ZWKOTPCHSA-O. The full InChI is InChI=1S/C18H21NO/c20-18(16-10-5-2-6-11-16)13-7-12-17(18)19-14-15-8-3-1-4-9-15/h1-6,8-11,17,19-20H,7,12-14H2/p+1/t17-,18+/m0/s1.
What are the key properties of benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium?
benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium has a molecular weight of 268.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium is sourced from PubChem (CID 6946967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).