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

C15H25N3 — CID 62581836

IUPACN-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C15H25N3/c1-2-8-16-12-15-7-3-4-10-18(15)13-14-6-5-9-17-11-14/h5-6,9,11,15-16H,2-4,7-8,10,12-13H2,1H3
InChIKeyCKCGFMPMELDPGH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.44
Rot. Bonds6

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

N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 62581836) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID62581836
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C15H25N3/c1-2-8-16-12-15-7-3-4-10-18(15)13-14-6-5-9-17-11-14/h5-6,9,11,15-16H,2-4,7-8,10,12-13H2,1H3
InChIKeyCKCGFMPMELDPGH-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
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-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (CID 62581836) is N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1Cc1cccnc1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is CKCGFMPMELDPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-8-16-12-15-7-3-4-10-18(15)13-14-6-5-9-17-11-14/h5-6,9,11,15-16H,2-4,7-8,10,12-13H2,1H3.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.44, 6 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]propan-1-amine is sourced from PubChem (CID 62581836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).