1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine

C14H23ClN4 — CID 62281867

IUPAC1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
SMILESCNCc1cnc(N2CCC(N(C)C)CC2)c(Cl)c1
InChIInChI=1S/C14H23ClN4/c1-16-9-11-8-13(15)14(17-10-11)19-6-4-12(5-7-19)18(2)3/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyJKMKUKJVPMDHRT-UHFFFAOYSA-N
MW282.82 g/mol
LogP1.98
Rot. Bonds4

About 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine

1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 62281867) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
PubChem CID62281867
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
SMILESCNCc1cnc(N2CCC(N(C)C)CC2)c(Cl)c1
InChIInChI=1S/C14H23ClN4/c1-16-9-11-8-13(15)14(17-10-11)19-6-4-12(5-7-19)18(2)3/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyJKMKUKJVPMDHRT-UHFFFAOYSA-N
XLogP1.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine (CID 62281867) is 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine is CNCc1cnc(N2CCC(N(C)C)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is JKMKUKJVPMDHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-16-9-11-8-13(15)14(17-10-11)19-6-4-12(5-7-19)18(2)3/h8,10,12,16H,4-7,9H2,1-3H3.
What are the key properties of 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 62281867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).