azepan-2-ylmethanol;hydrochloride

C7H16ClNO — CID 6456437

IUPACazepan-2-ylmethanol;hydrochloride
SMILESCl.OCC1CCCCCN1
InChIInChI=1S/C7H15NO.ClH/c9-6-7-4-2-1-3-5-8-7;/h7-9H,1-6H2;1H
InChIKeyVGRRDVSUABPMSM-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds1

About azepan-2-ylmethanol;hydrochloride

azepan-2-ylmethanol;hydrochloride (PubChem CID 6456437) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is azepan-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Nameazepan-2-ylmethanol;hydrochloride
PubChem CID6456437
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Nameazepan-2-ylmethanol;hydrochloride
SMILESCl.OCC1CCCCCN1
InChIInChI=1S/C7H15NO.ClH/c9-6-7-4-2-1-3-5-8-7;/h7-9H,1-6H2;1H
InChIKeyVGRRDVSUABPMSM-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-2-ylmethanol;hydrochloride?
The IUPAC name of azepan-2-ylmethanol;hydrochloride (CID 6456437) is azepan-2-ylmethanol;hydrochloride.
What is the SMILES notation for azepan-2-ylmethanol;hydrochloride?
The canonical SMILES for azepan-2-ylmethanol;hydrochloride is Cl.OCC1CCCCCN1.
What is the InChIKey of azepan-2-ylmethanol;hydrochloride?
The InChIKey is VGRRDVSUABPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c9-6-7-4-2-1-3-5-8-7;/h7-9H,1-6H2;1H.
What are the key properties of azepan-2-ylmethanol;hydrochloride?
azepan-2-ylmethanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-ylmethanol;hydrochloride is sourced from PubChem (CID 6456437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).