N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine

C18H31N3 — CID 78899315

IUPACN-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C18H31N3/c1-3-4-12-20(2)16-18-8-14-21(15-9-18)13-7-17-5-10-19-11-6-17/h5-6,10-11,18H,3-4,7-9,12-16H2,1-2H3
InChIKeyPMHPXHKONKRNES-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.07
Rot. Bonds8

About N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine

N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine (PubChem CID 78899315) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
PubChem CID78899315
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C18H31N3/c1-3-4-12-20(2)16-18-8-14-21(15-9-18)13-7-17-5-10-19-11-6-17/h5-6,10-11,18H,3-4,7-9,12-16H2,1-2H3
InChIKeyPMHPXHKONKRNES-UHFFFAOYSA-N
XLogP3.07
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
CID 156795126
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
(2S,6S)-2,6-dimethyl-4-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]morpholine
CID 95289094
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 86824492
N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine (CID 78899315) is N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine is CCCCN(C)CC1CCN(CCc2ccncc2)CC1.
What is the InChIKey of N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine?
The InChIKey is PMHPXHKONKRNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-4-12-20(2)16-18-8-14-21(15-9-18)13-7-17-5-10-19-11-6-17/h5-6,10-11,18H,3-4,7-9,12-16H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine?
N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 78899315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).