N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine

C13H21N3 — CID 62592344

IUPACN-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(c2ccncc2)C1
InChIInChI=1S/C13H21N3/c1-2-14-10-12-4-3-9-16(11-12)13-5-7-15-8-6-13/h5-8,12,14H,2-4,9-11H2,1H3
InChIKeyALWNSWSTMDKXBQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.91
Rot. Bonds4

About N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine

N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine (PubChem CID 62592344) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
PubChem CID62592344
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(c2ccncc2)C1
InChIInChI=1S/C13H21N3/c1-2-14-10-12-4-3-9-16(11-12)13-5-7-15-8-6-13/h5-8,12,14H,2-4,9-11H2,1H3
InChIKeyALWNSWSTMDKXBQ-UHFFFAOYSA-N
XLogP1.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70748577
N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 63149812
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 72884299
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine
CID 106550545
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63853891

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine (CID 62592344) is N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine is CCNCC1CCCN(c2ccncc2)C1.
What is the InChIKey of N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is ALWNSWSTMDKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-14-10-12-4-3-9-16(11-12)13-5-7-15-8-6-13/h5-8,12,14H,2-4,9-11H2,1H3.
What are the key properties of N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine?
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 62592344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).