N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

C14H22ClN3 — CID 55084699

IUPACN-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C14H22ClN3/c1-17-7-3-4-12(10-17)18(2)9-11-5-6-13(15)14(16)8-11/h5-6,8,12H,3-4,7,9-10,16H2,1-2H3
InChIKeyFZNVNLIWSHDJQA-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.45
Rot. Bonds3

About N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 55084699) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID55084699
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C14H22ClN3/c1-17-7-3-4-12(10-17)18(2)9-11-5-6-13(15)14(16)8-11/h5-6,8,12H,3-4,7,9-10,16H2,1-2H3
InChIKeyFZNVNLIWSHDJQA-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82958502
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 117038718

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (CID 55084699) is N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2ccc(Cl)c(N)c2)C1.
What is the InChIKey of N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is FZNVNLIWSHDJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-17-7-3-4-12(10-17)18(2)9-11-5-6-13(15)14(16)8-11/h5-6,8,12H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 267.80 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 55084699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).