N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine

C15H23ClN2 — CID 115145533

IUPACN-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CCNC(C)(C)C1
InChIInChI=1S/C15H23ClN2/c1-15(2)10-14(8-9-17-15)18(3)11-12-4-6-13(16)7-5-12/h4-7,14,17H,8-11H2,1-3H3
InChIKeyVTJVQBDIZRYEJM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.30
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine

N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine (PubChem CID 115145533) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
PubChem CID115145533
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)C1CCNC(C)(C)C1
InChIInChI=1S/C15H23ClN2/c1-15(2)10-14(8-9-17-15)18(3)11-12-4-6-13(16)7-5-12/h4-7,14,17H,8-11H2,1-3H3
InChIKeyVTJVQBDIZRYEJM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 115145554
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine
CID 114235700
N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145537
N,2,2-trimethyl-N-phenylpiperidin-4-amine;hydrochloride
CID 156708950
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 115145458
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine
CID 115145436
N,2,2-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 115145562
N-cyclopentyl-N,2,2-trimethylpiperidin-4-amine
CID 115145455

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine (CID 115145533) is N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine is CN(Cc1ccc(Cl)cc1)C1CCNC(C)(C)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
The InChIKey is VTJVQBDIZRYEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(2)10-14(8-9-17-15)18(3)11-12-4-6-13(16)7-5-12/h4-7,14,17H,8-11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.30, 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,2,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 115145533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).