(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol

C14H19NO — CID 178002287

IUPAC(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
SMILESOCC12CCN(Cc3ccccc3)C(C1)C2
InChIInChI=1S/C14H19NO/c16-11-14-6-7-15(13(8-14)9-14)10-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2
InChIKeyOKFKOACRKJTBIQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.03
Rot. Bonds3

About (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol

(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol (PubChem CID 178002287) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
PubChem CID178002287
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
SMILESOCC12CCN(Cc3ccccc3)C(C1)C2
InChIInChI=1S/C14H19NO/c16-11-14-6-7-15(13(8-14)9-14)10-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2
InChIKeyOKFKOACRKJTBIQ-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate
CID 139492500
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
(4aS,7aR)-1,4-dibenzyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine
CID 156507348
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
1,3-dibenzyl-2-[(Z)-2-phenylethenyl]imidazolidine
CID 92896790
(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone
CID 42599284
1-benzyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 563820
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol?
The IUPAC name of (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol (CID 178002287) is (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol.
What is the SMILES notation for (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol?
The canonical SMILES for (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol is OCC12CCN(Cc3ccccc3)C(C1)C2.
What is the InChIKey of (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol?
The InChIKey is OKFKOACRKJTBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-11-14-6-7-15(13(8-14)9-14)10-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2.
What are the key properties of (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol?
(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol has a molecular weight of 217.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol is sourced from PubChem (CID 178002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).