N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine

C15H23ClN2 — CID 114235700

IUPACN-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CCNCC1(C)C
InChIInChI=1S/C15H23ClN2/c1-15(2)11-17-9-8-14(15)18(3)10-12-4-6-13(16)7-5-12/h4-7,14,17H,8-11H2,1-3H3
InChIKeyBCPFSSLFQPYXPU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine

N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine (PubChem CID 114235700) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine
PubChem CID114235700
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CCNCC1(C)C
InChIInChI=1S/C15H23ClN2/c1-15(2)11-17-9-8-14(15)18(3)10-12-4-6-13(16)7-5-12/h4-7,14,17H,8-11H2,1-3H3
InChIKeyBCPFSSLFQPYXPU-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine (CID 114235700) is N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine is CN(Cc1ccc(Cl)cc1)C1CCNCC1(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine?
The InChIKey is BCPFSSLFQPYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(2)11-17-9-8-14(15)18(3)10-12-4-6-13(16)7-5-12/h4-7,14,17H,8-11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine?
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 114235700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).