[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol

C7H13NO — CID 155904518

IUPAC[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol
SMILESOC[C@@]12CC[C@@H](C1)NC2
InChIInChI=1S/C7H13NO/c9-5-7-2-1-6(3-7)8-4-7/h6,8-9H,1-5H2/t6-,7-/m0/s1
InChIKeySSGYWJKDARVKID-BQBZGAKWSA-N
MW127.19 g/mol
LogP0.12
Rot. Bonds1

About [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol

[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol (PubChem CID 155904518) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol.

Molecular Properties

Compound Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol
PubChem CID155904518
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol
SMILESOC[C@@]12CC[C@@H](C1)NC2
InChIInChI=1S/C7H13NO/c9-5-7-2-1-6(3-7)8-4-7/h6,8-9H,1-5H2/t6-,7-/m0/s1
InChIKeySSGYWJKDARVKID-BQBZGAKWSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-azabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154703077
methyl 2-(2-azabicyclo[2.1.1]hexan-4-yl)acetate
CID 131539377
2-oxabicyclo[2.2.2]octan-4-ylmethanol
CID 135392871
2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride
CID 155892704
4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063858
4-methyl-2-azabicyclo[2.2.2]octane
CID 123620881
N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine
CID 57246050
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 115063882
(1R,4R,5R)-5-(3,4-dichlorophenyl)-4-(methoxymethyl)-4-methyl-2-azabicyclo[3.2.1]octane
CID 173487470
1-adamantylmethanol;hydrochloride
CID 141053946
1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol
CID 123204743

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol?
The IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol (CID 155904518) is [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol.
What is the SMILES notation for [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol?
The canonical SMILES for [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol is OC[C@@]12CC[C@@H](C1)NC2.
What is the InChIKey of [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol?
The InChIKey is SSGYWJKDARVKID-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO/c9-5-7-2-1-6(3-7)8-4-7/h6,8-9H,1-5H2/t6-,7-/m0/s1.
What are the key properties of [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol?
[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol is sourced from PubChem (CID 155904518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).