N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine

C18H31N3 — CID 83046329

IUPACN-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCCC2CCC)nc1
InChIInChI=1S/C18H31N3/c1-3-7-18-8-5-6-12-21(18)15-17-10-9-16(14-20-17)13-19-11-4-2/h9-10,14,18-19H,3-8,11-13,15H2,1-2H3
InChIKeyWPFNQUHHXXTSNH-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.74
Rot. Bonds8

About N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine

N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 83046329) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID83046329
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCCC2CCC)nc1
InChIInChI=1S/C18H31N3/c1-3-7-18-8-5-6-12-21(18)15-17-10-9-16(14-20-17)13-19-11-4-2/h9-10,14,18-19H,3-8,11-13,15H2,1-2H3
InChIKeyWPFNQUHHXXTSNH-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.74
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-methyl-1-[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83062407
N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine
CID 104692323
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 62323923
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 81318609
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 83053677
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289596
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine (CID 83046329) is N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCCCC2CCC)nc1.
What is the InChIKey of N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is WPFNQUHHXXTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-7-18-8-5-6-12-21(18)15-17-10-9-16(14-20-17)13-19-11-4-2/h9-10,14,18-19H,3-8,11-13,15H2,1-2H3.
What are the key properties of N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine?
N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 83046329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).