N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H26ClN3 — CID 114926682

IUPACN-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1CCC(C)N(c2cc(CNC(C)C)c(Cl)cn2)C1
InChIInChI=1S/C16H26ClN3/c1-11(2)18-8-14-7-16(19-9-15(14)17)20-10-12(3)5-6-13(20)4/h7,9,11-13,18H,5-6,8,10H2,1-4H3
InChIKeyMLPRPEFCNZXZBX-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.86
Rot. Bonds4

About N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114926682) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114926682
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC1CCC(C)N(c2cc(CNC(C)C)c(Cl)cn2)C1
InChIInChI=1S/C16H26ClN3/c1-11(2)18-8-14-7-16(19-9-15(14)17)20-10-12(3)5-6-13(20)4/h7,9,11-13,18H,5-6,8,10H2,1-4H3
InChIKeyMLPRPEFCNZXZBX-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114852030
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189393
N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 103539431
N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967701
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 114926628
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925192
N-[[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927491
N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380459
N-[[5-chloro-2-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927325

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 114926682) is N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC1CCC(C)N(c2cc(CNC(C)C)c(Cl)cn2)C1.
What is the InChIKey of N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is MLPRPEFCNZXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-11(2)18-8-14-7-16(19-9-15(14)17)20-10-12(3)5-6-13(20)4/h7,9,11-13,18H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 295.86 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114926682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).