[4-(azepan-3-ylmethyl)phenyl]methanol

C14H21NO — CID 104680736

IUPAC[4-(azepan-3-ylmethyl)phenyl]methanol
SMILESOCc1ccc(CC2CCCCNC2)cc1
InChIInChI=1S/C14H21NO/c16-11-13-6-4-12(5-7-13)9-14-3-1-2-8-15-10-14/h4-7,14-16H,1-3,8-11H2
InChIKeyVFROWHHFTJJDBY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.11
Rot. Bonds3

About [4-(azepan-3-ylmethyl)phenyl]methanol

[4-(azepan-3-ylmethyl)phenyl]methanol (PubChem CID 104680736) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(azepan-3-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(azepan-3-ylmethyl)phenyl]methanol
PubChem CID104680736
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(azepan-3-ylmethyl)phenyl]methanol
SMILESOCc1ccc(CC2CCCCNC2)cc1
InChIInChI=1S/C14H21NO/c16-11-13-6-4-12(5-7-13)9-14-3-1-2-8-15-10-14/h4-7,14-16H,1-3,8-11H2
InChIKeyVFROWHHFTJJDBY-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-3-ylmethyl)aniline
CID 131866248
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[(4-nitrophenyl)methyl]-azacyclotridecane
CID 57083773
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-3-ylmethyl)phenyl]methanol?
The IUPAC name of [4-(azepan-3-ylmethyl)phenyl]methanol (CID 104680736) is [4-(azepan-3-ylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(azepan-3-ylmethyl)phenyl]methanol?
The canonical SMILES for [4-(azepan-3-ylmethyl)phenyl]methanol is OCc1ccc(CC2CCCCNC2)cc1.
What is the InChIKey of [4-(azepan-3-ylmethyl)phenyl]methanol?
The InChIKey is VFROWHHFTJJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-11-13-6-4-12(5-7-13)9-14-3-1-2-8-15-10-14/h4-7,14-16H,1-3,8-11H2.
What are the key properties of [4-(azepan-3-ylmethyl)phenyl]methanol?
[4-(azepan-3-ylmethyl)phenyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-3-ylmethyl)phenyl]methanol is sourced from PubChem (CID 104680736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).