[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine

C14H22ClN3 — CID 107055512

IUPAC[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
SMILESCCC1(C)CCN(c2nccc(CN)c2Cl)CC1
InChIInChI=1S/C14H22ClN3/c1-3-14(2)5-8-18(9-6-14)13-12(15)11(10-16)4-7-17-13/h4,7H,3,5-6,8-10,16H2,1-2H3
InChIKeyLXIBFJJIXUSMGQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.21
Rot. Bonds3

About [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine

[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 107055512) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
PubChem CID107055512
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
SMILESCCC1(C)CCN(c2nccc(CN)c2Cl)CC1
InChIInChI=1S/C14H22ClN3/c1-3-14(2)5-8-18(9-6-14)13-12(15)11(10-16)4-7-17-13/h4,7H,3,5-6,8-10,16H2,1-2H3
InChIKeyLXIBFJJIXUSMGQ-UHFFFAOYSA-N
XLogP3.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine (CID 107055512) is [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine is CCC1(C)CCN(c2nccc(CN)c2Cl)CC1.
What is the InChIKey of [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is LXIBFJJIXUSMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-14(2)5-8-18(9-6-14)13-12(15)11(10-16)4-7-17-13/h4,7H,3,5-6,8-10,16H2,1-2H3.
What are the key properties of [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine?
[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).