[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone

C12H16ClN3O — CID 66484755

IUPAC[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESNCC1CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c13-11-7-15-4-3-10(11)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyRUYYAZKTFUEUJZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.55
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone

[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 66484755) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID66484755
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESNCC1CCCN(C(=O)c2ccncc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c13-11-7-15-4-3-10(11)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyRUYYAZKTFUEUJZ-UHFFFAOYSA-N
XLogP1.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 66484755) is [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is NCC1CCCN(C(=O)c2ccncc2Cl)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is RUYYAZKTFUEUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-7-15-4-3-10(11)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5-6,8,14H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone has a molecular weight of 253.73 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 66484755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).