[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride

C21H33ClN2O2 — CID 158701553

IUPAC[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CCC2(CC2)N1.OC[C@@H]1CCC2(CC2)N1Cc1ccccc1
InChIInChI=1S/C14H19NO.C7H13NO.ClH/c16-11-13-6-7-14(8-9-14)15(13)10-12-4-2-1-3-5-12;9-5-6-1-2-7(8-6)3-4-7;/h1-5,13,16H,6-11H2;6,8-9H,1-5H2;1H/t13-;6-;/m00./s1
InChIKeyZYXMVBUCBOWGAT-YRJIMHMGSA-N
MW380.96 g/mol
LogP2.86
Rot. Bonds4

About [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride

[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride (PubChem CID 158701553) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride
PubChem CID158701553
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC Name[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CCC2(CC2)N1.OC[C@@H]1CCC2(CC2)N1Cc1ccccc1
InChIInChI=1S/C14H19NO.C7H13NO.ClH/c16-11-13-6-7-14(8-9-14)15(13)10-12-4-2-1-3-5-12;9-5-6-1-2-7(8-6)3-4-7;/h1-5,13,16H,6-11H2;6,8-9H,1-5H2;1H/t13-;6-;/m00./s1
InChIKeyZYXMVBUCBOWGAT-YRJIMHMGSA-N
XLogP2.86
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine
CID 175726887
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
CID 163511125
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
CID 126483740
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298

Frequently Asked Questions

What is the IUPAC name of [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride?
The IUPAC name of [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride (CID 158701553) is [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride.
What is the SMILES notation for [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride?
The canonical SMILES for [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride is Cl.OC[C@@H]1CCC2(CC2)N1.OC[C@@H]1CCC2(CC2)N1Cc1ccccc1.
What is the InChIKey of [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride?
The InChIKey is ZYXMVBUCBOWGAT-YRJIMHMGSA-N. The full InChI is InChI=1S/C14H19NO.C7H13NO.ClH/c16-11-13-6-7-14(8-9-14)15(13)10-12-4-2-1-3-5-12;9-5-6-1-2-7(8-6)3-4-7;/h1-5,13,16H,6-11H2;6,8-9H,1-5H2;1H/t13-;6-;/m00./s1.
What are the key properties of [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride?
[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride is sourced from PubChem (CID 158701553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).