N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine

C14H23N3 — CID 62582196

IUPACN-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-2-15-11-14-7-3-4-9-17(14)12-13-6-5-8-16-10-13/h5-6,8,10,14-15H,2-4,7,9,11-12H2,1H3
InChIKeyJFFPVXMAEXCLKZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.05
Rot. Bonds5

About N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine

N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 62582196) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
PubChem CID62582196
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-2-15-11-14-7-3-4-9-17(14)12-13-6-5-8-16-10-13/h5-6,8,10,14-15H,2-4,7,9,11-12H2,1H3
InChIKeyJFFPVXMAEXCLKZ-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
CID 117028174
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine (CID 62582196) is N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1Cc1cccnc1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is JFFPVXMAEXCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-15-11-14-7-3-4-9-17(14)12-13-6-5-8-16-10-13/h5-6,8,10,14-15H,2-4,7,9,11-12H2,1H3.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine?
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62582196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).