2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine

C13H20ClN3 — CID 79254918

IUPAC2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H20ClN3/c14-12-2-6-16-13(9-12)10-17-7-3-11(1-5-15)4-8-17/h2,6,9,11H,1,3-5,7-8,10,15H2
InChIKeyGJFOXWBVRBNGPQ-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine

2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 79254918) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
PubChem CID79254918
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H20ClN3/c14-12-2-6-16-13(9-12)10-17-7-3-11(1-5-15)4-8-17/h2,6,9,11H,1,3-5,7-8,10,15H2
InChIKeyGJFOXWBVRBNGPQ-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
3-[(4-chloro-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314484
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723
2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine
CID 107124504
8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79256023
[2-[(4-propylazepan-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259924
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
(4-chloro-2-pyridinyl)methanamine
CID 22727148

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine (CID 79254918) is 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine is NCCC1CCN(Cc2cc(Cl)ccn2)CC1.
What is the InChIKey of 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is GJFOXWBVRBNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c14-12-2-6-16-13(9-12)10-17-7-3-11(1-5-15)4-8-17/h2,6,9,11H,1,3-5,7-8,10,15H2.
What are the key properties of 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 253.78 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 79254918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).