N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine

C17H29N3 — CID 79065903

IUPACN,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1cnccc1C)N1CCCCC1
InChIInChI=1S/C17H29N3/c1-5-17(3,20-11-7-6-8-12-20)16(18-4)15-13-19-10-9-14(15)2/h9-10,13,16,18H,5-8,11-12H2,1-4H3
InChIKeyIQBSYCSGEATEGQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.31
Rot. Bonds5

About N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine

N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine (PubChem CID 79065903) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
PubChem CID79065903
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1cnccc1C)N1CCCCC1
InChIInChI=1S/C17H29N3/c1-5-17(3,20-11-7-6-8-12-20)16(18-4)15-13-19-10-9-14(15)2/h9-10,13,16,18H,5-8,11-12H2,1-4H3
InChIKeyIQBSYCSGEATEGQ-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069276
N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
1-N,2-N,2-N,2-tetramethyl-1-(4-methyl-3-pyridinyl)propane-1,2-diamine
CID 79053905

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine (CID 79065903) is N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(NC)c1cnccc1C)N1CCCCC1.
What is the InChIKey of N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine?
The InChIKey is IQBSYCSGEATEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-17(3,20-11-7-6-8-12-20)16(18-4)15-13-19-10-9-14(15)2/h9-10,13,16,18H,5-8,11-12H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine?
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79065903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).