N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C14H22ClN3 — CID 79255091

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN(C)Cc2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H22ClN3/c1-17-7-4-12(5-8-17)10-18(2)11-14-9-13(15)3-6-16-14/h3,6,9,12H,4-5,7-8,10-11H2,1-2H3
InChIKeyYOGQEBWRFHYHKA-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 79255091) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID79255091
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN(C)Cc2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H22ClN3/c1-17-7-4-12(5-8-17)10-18(2)11-14-9-13(15)3-6-16-14/h3,6,9,12H,4-5,7-8,10-11H2,1-2H3
InChIKeyYOGQEBWRFHYHKA-UHFFFAOYSA-N
XLogP2.51
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 79255512
N-[(4-chloro-2-pyridinyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 79255497
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 112751145
3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 79256288
2-[[cyclopentylmethyl(methyl)amino]methyl]pyridin-4-amine
CID 79251445
4-chloro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 79582729
N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79255921
1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79381503
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55173452
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 63886876
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
5-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 55174807

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 79255091) is N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CN(C)Cc2cc(Cl)ccn2)CC1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is YOGQEBWRFHYHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-17-7-4-12(5-8-17)10-18(2)11-14-9-13(15)3-6-16-14/h3,6,9,12H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 267.80 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 79255091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).