[1-(4-benzylazepin-1-yl)cyclohexyl]methanol

C20H25NO — CID 142026865

IUPAC[1-(4-benzylazepin-1-yl)cyclohexyl]methanol
SMILESOCC1(N2C=CC=C(Cc3ccccc3)C=C2)CCCCC1
InChIInChI=1S/C20H25NO/c22-17-20(12-5-2-6-13-20)21-14-7-10-19(11-15-21)16-18-8-3-1-4-9-18/h1,3-4,7-11,14-15,22H,2,5-6,12-13,16-17H2
InChIKeyFTGAKDAECMPGMZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.19
Rot. Bonds4

About [1-(4-benzylazepin-1-yl)cyclohexyl]methanol

[1-(4-benzylazepin-1-yl)cyclohexyl]methanol (PubChem CID 142026865) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [1-(4-benzylazepin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-benzylazepin-1-yl)cyclohexyl]methanol
PubChem CID142026865
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[1-(4-benzylazepin-1-yl)cyclohexyl]methanol
SMILESOCC1(N2C=CC=C(Cc3ccccc3)C=C2)CCCCC1
InChIInChI=1S/C20H25NO/c22-17-20(12-5-2-6-13-20)21-14-7-10-19(11-15-21)16-18-8-3-1-4-9-18/h1,3-4,7-11,14-15,22H,2,5-6,12-13,16-17H2
InChIKeyFTGAKDAECMPGMZ-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylazepin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(4-benzylazepin-1-yl)cyclohexyl]methanol (CID 142026865) is [1-(4-benzylazepin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(4-benzylazepin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(4-benzylazepin-1-yl)cyclohexyl]methanol is OCC1(N2C=CC=C(Cc3ccccc3)C=C2)CCCCC1.
What is the InChIKey of [1-(4-benzylazepin-1-yl)cyclohexyl]methanol?
The InChIKey is FTGAKDAECMPGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-17-20(12-5-2-6-13-20)21-14-7-10-19(11-15-21)16-18-8-3-1-4-9-18/h1,3-4,7-11,14-15,22H,2,5-6,12-13,16-17H2.
What are the key properties of [1-(4-benzylazepin-1-yl)cyclohexyl]methanol?
[1-(4-benzylazepin-1-yl)cyclohexyl]methanol has a molecular weight of 295.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylazepin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 142026865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).