1-piperidin-4-ylazepane;hydrochloride

C11H23ClN2 — CID 24747019

IUPAC1-piperidin-4-ylazepane;hydrochloride
SMILESC1CCCN(C2CCNCC2)CC1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-2-4-10-13(9-3-1)11-5-7-12-8-6-11;/h11-12H,1-10H2;1H
InChIKeyGWDGTEZHNXFQAH-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.04
Rot. Bonds1

About 1-piperidin-4-ylazepane;hydrochloride

1-piperidin-4-ylazepane;hydrochloride (PubChem CID 24747019) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 1-piperidin-4-ylazepane;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-ylazepane;hydrochloride
PubChem CID24747019
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name1-piperidin-4-ylazepane;hydrochloride
SMILESC1CCCN(C2CCNCC2)CC1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-2-4-10-13(9-3-1)11-5-7-12-8-6-11;/h11-12H,1-10H2;1H
InChIKeyGWDGTEZHNXFQAH-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylazepane;hydrochloride?
The IUPAC name of 1-piperidin-4-ylazepane;hydrochloride (CID 24747019) is 1-piperidin-4-ylazepane;hydrochloride.
What is the SMILES notation for 1-piperidin-4-ylazepane;hydrochloride?
The canonical SMILES for 1-piperidin-4-ylazepane;hydrochloride is C1CCCN(C2CCNCC2)CC1.Cl.
What is the InChIKey of 1-piperidin-4-ylazepane;hydrochloride?
The InChIKey is GWDGTEZHNXFQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c1-2-4-10-13(9-3-1)11-5-7-12-8-6-11;/h11-12H,1-10H2;1H.
What are the key properties of 1-piperidin-4-ylazepane;hydrochloride?
1-piperidin-4-ylazepane;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylazepane;hydrochloride is sourced from PubChem (CID 24747019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).