N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride

C12H23ClN2 — CID 19049124

IUPACN-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride
SMILESC1=C(NC2CCCCN2)CCCCC1.Cl
InChIInChI=1S/C12H22N2.ClH/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13-12;/h7,12-14H,1-6,8-10H2;1H
InChIKeyWBPQTEMUCPFQIB-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.95
Rot. Bonds2

About N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride

N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride (PubChem CID 19049124) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride
PubChem CID19049124
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC NameN-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride
SMILESC1=C(NC2CCCCN2)CCCCC1.Cl
InChIInChI=1S/C12H22N2.ClH/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13-12;/h7,12-14H,1-6,8-10H2;1H
InChIKeyWBPQTEMUCPFQIB-UHFFFAOYSA-N
XLogP2.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride?
The IUPAC name of N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride (CID 19049124) is N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride.
What is the SMILES notation for N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride?
The canonical SMILES for N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride is C1=C(NC2CCCCN2)CCCCC1.Cl.
What is the InChIKey of N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride?
The InChIKey is WBPQTEMUCPFQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.ClH/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13-12;/h7,12-14H,1-6,8-10H2;1H.
What are the key properties of N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride?
N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride has a molecular weight of 230.78 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepten-1-yl)piperidin-2-amine;hydrochloride is sourced from PubChem (CID 19049124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).