[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine

C14H22ClN3 — CID 103353142

IUPAC[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cccc(Cl)n2)C(CN)C1
InChIInChI=1S/C14H22ClN3/c1-2-11-6-7-18(13(8-11)9-16)10-12-4-3-5-14(15)17-12/h3-5,11,13H,2,6-10,16H2,1H3
InChIKeyDXNKYTIGTNQFRB-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.68
Rot. Bonds4

About [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine

[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103353142) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103353142
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cccc(Cl)n2)C(CN)C1
InChIInChI=1S/C14H22ClN3/c1-2-11-6-7-18(13(8-11)9-16)10-12-4-3-5-14(15)17-12/h3-5,11,13H,2,6-10,16H2,1H3
InChIKeyDXNKYTIGTNQFRB-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine (CID 103353142) is [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(Cc2cccc(Cl)n2)C(CN)C1.
What is the InChIKey of [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is DXNKYTIGTNQFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-2-11-6-7-18(13(8-11)9-16)10-12-4-3-5-14(15)17-12/h3-5,11,13H,2,6-10,16H2,1H3.
What are the key properties of [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103353142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).