N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine

C14H21ClN2 — CID 106817825

IUPACN-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCc1ccc(CN(C)C2CCCNC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-5-6-12(8-14(11)15)10-17(2)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyRWMVFMMPUFRIMO-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.83
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine

N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 106817825) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID106817825
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCc1ccc(CN(C)C2CCCNC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-5-6-12(8-14(11)15)10-17(2)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyRWMVFMMPUFRIMO-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
N-[(3-chloro-4-methylphenyl)methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844817
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-3-amine
CID 63643908
N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine (CID 106817825) is N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine is Cc1ccc(CN(C)C2CCCNC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is RWMVFMMPUFRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-5-6-12(8-14(11)15)10-17(2)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine?
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 106817825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).