N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine

C15H24ClN3 — CID 102662921

IUPACN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(CN)cc2Cl)C1
InChIInChI=1S/C15H24ClN3/c1-18-7-3-4-14(11-18)19(2)10-13-6-5-12(9-17)8-15(13)16/h5-6,8,14H,3-4,7,9-11,17H2,1-2H3
InChIKeyKIGLAWMYBSDDOJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.32
Rot. Bonds4

About N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine

N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 102662921) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID102662921
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(CN)cc2Cl)C1
InChIInChI=1S/C15H24ClN3/c1-18-7-3-4-14(11-18)19(2)10-13-6-5-12(9-17)8-15(13)16/h5-6,8,14H,3-4,7,9-11,17H2,1-2H3
InChIKeyKIGLAWMYBSDDOJ-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N'-hydroxy-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 102666920
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine (CID 102662921) is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2ccc(CN)cc2Cl)C1.
What is the InChIKey of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is KIGLAWMYBSDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18-7-3-4-14(11-18)19(2)10-13-6-5-12(9-17)8-15(13)16/h5-6,8,14H,3-4,7,9-11,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine?
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 281.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 102662921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).