2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine

C17H29N3 — CID 63849817

IUPAC2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)12-19-14-17-6-10-20(11-7-17)9-5-16-4-3-8-18-13-16/h3-4,8,13,15,17,19H,5-7,9-12,14H2,1-2H3
InChIKeyKMHFNZUMRWFWCB-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.58
Rot. Bonds7

About 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 63849817) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID63849817
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)12-19-14-17-6-10-20(11-7-17)9-5-16-4-3-8-18-13-16/h3-4,8,13,15,17,19H,5-7,9-12,14H2,1-2H3
InChIKeyKMHFNZUMRWFWCB-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981
2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 115647965
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
formic acid;methyl 5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 172896748
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849479
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine (CID 63849817) is 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(CCc2cccnc2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is KMHFNZUMRWFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)12-19-14-17-6-10-20(11-7-17)9-5-16-4-3-8-18-13-16/h3-4,8,13,15,17,19H,5-7,9-12,14H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).