1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine

C15H24ClN3 — CID 79045476

IUPAC1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1ccncc1Cl)N1CCCCC1
InChIInChI=1S/C15H24ClN3/c1-15(2,19-8-4-3-5-9-19)14(17)10-12-6-7-18-11-13(12)16/h6-7,11,14H,3-5,8-10,17H2,1-2H3
InChIKeyRTJHLLXVIRMQCF-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine

1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 79045476) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
PubChem CID79045476
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1ccncc1Cl)N1CCCCC1
InChIInChI=1S/C15H24ClN3/c1-15(2,19-8-4-3-5-9-19)14(17)10-12-6-7-18-11-13(12)16/h6-7,11,14H,3-5,8-10,17H2,1-2H3
InChIKeyRTJHLLXVIRMQCF-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057135
3-(azepan-1-yl)-1-(2-fluorophenyl)-3-methylbutan-2-amine
CID 79050643
1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802895
3-(azepan-1-yl)-1-(2,3-difluorophenyl)-3-methylbutan-2-amine
CID 79050926
3-(azepan-1-yl)-1-(2,5-difluorophenyl)-3-methylbutan-2-amine
CID 79051217
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112643281
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (CID 79045476) is 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is CC(C)(C(N)Cc1ccncc1Cl)N1CCCCC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is RTJHLLXVIRMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-15(2,19-8-4-3-5-9-19)14(17)10-12-6-7-18-11-13(12)16/h6-7,11,14H,3-5,8-10,17H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 79045476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).