azane;1-[(4-chlorophenyl)methyl]piperidine

C12H19ClN2 — CID 68799003

IUPACazane;1-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCCCC2)cc1.N
InChIInChI=1S/C12H16ClN.H3N/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2;1H3
InChIKeyDFJCFLXRLZRTHS-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.49
Rot. Bonds2

About azane;1-[(4-chlorophenyl)methyl]piperidine

azane;1-[(4-chlorophenyl)methyl]piperidine (PubChem CID 68799003) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is azane;1-[(4-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Nameazane;1-[(4-chlorophenyl)methyl]piperidine
PubChem CID68799003
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Nameazane;1-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCCCC2)cc1.N
InChIInChI=1S/C12H16ClN.H3N/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2;1H3
InChIKeyDFJCFLXRLZRTHS-UHFFFAOYSA-N
XLogP3.49
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;1-[(4-chlorophenyl)methyl]piperidine?
The IUPAC name of azane;1-[(4-chlorophenyl)methyl]piperidine (CID 68799003) is azane;1-[(4-chlorophenyl)methyl]piperidine.
What is the SMILES notation for azane;1-[(4-chlorophenyl)methyl]piperidine?
The canonical SMILES for azane;1-[(4-chlorophenyl)methyl]piperidine is Clc1ccc(CN2CCCCC2)cc1.N.
What is the InChIKey of azane;1-[(4-chlorophenyl)methyl]piperidine?
The InChIKey is DFJCFLXRLZRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.H3N/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2;1H3.
What are the key properties of azane;1-[(4-chlorophenyl)methyl]piperidine?
azane;1-[(4-chlorophenyl)methyl]piperidine has a molecular weight of 226.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[(4-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 68799003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).