N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

C14H22ClN3 — CID 62285951

IUPACN-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-3-16-8-12-7-13(15)14(17-9-12)18-6-4-5-11(2)10-18/h7,9,11,16H,3-6,8,10H2,1-2H3
InChIKeyDYYFIUCTRTYGBY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.08
Rot. Bonds4

About N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 62285951) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID62285951
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCCC(C)C2)c(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-3-16-8-12-7-13(15)14(17-9-12)18-6-4-5-11(2)10-18/h7,9,11,16H,3-6,8,10H2,1-2H3
InChIKeyDYYFIUCTRTYGBY-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 62285951) is N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(N2CCCC(C)C2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DYYFIUCTRTYGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-16-8-12-7-13(15)14(17-9-12)18-6-4-5-11(2)10-18/h7,9,11,16H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62285951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).