N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine

C14H22ClN3 — CID 79240498

IUPACN-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cccc(Cl)n1)C1CCCNC1
InChIInChI=1S/C14H22ClN3/c1-2-9-18(13-6-4-8-16-10-13)11-12-5-3-7-14(15)17-12/h3,5,7,13,16H,2,4,6,8-11H2,1H3
InChIKeyLWQCQKVYPSPEJG-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.70
Rot. Bonds5

About N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine

N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 79240498) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
PubChem CID79240498
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cccc(Cl)n1)C1CCCNC1
InChIInChI=1S/C14H22ClN3/c1-2-9-18(13-6-4-8-16-10-13)11-12-5-3-7-14(15)17-12/h3,5,7,13,16H,2,4,6,8-11H2,1H3
InChIKeyLWQCQKVYPSPEJG-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.70
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 N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine (CID 79240498) is N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1cccc(Cl)n1)C1CCCNC1.
What is the InChIKey of N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is LWQCQKVYPSPEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-2-9-18(13-6-4-8-16-10-13)11-12-5-3-7-14(15)17-12/h3,5,7,13,16H,2,4,6,8-11H2,1H3.
What are the key properties of N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine?
N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 267.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 79240498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).