N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H26ClN3O — CID 102967701

IUPACN-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCOC1CN(c2cc(CNC(C)C)c(Cl)cn2)CCC1C
InChIInChI=1S/C16H26ClN3O/c1-11(2)18-8-13-7-16(19-9-14(13)17)20-6-5-12(3)15(10-20)21-4/h7,9,11-12,15,18H,5-6,8,10H2,1-4H3
InChIKeyQJQDUEUZXMDHLL-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.09
Rot. Bonds5

About N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 102967701) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID102967701
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCOC1CN(c2cc(CNC(C)C)c(Cl)cn2)CCC1C
InChIInChI=1S/C16H26ClN3O/c1-11(2)18-8-13-7-16(19-9-14(13)17)20-6-5-12(3)15(10-20)21-4/h7,9,11-12,15,18H,5-6,8,10H2,1-4H3
InChIKeyQJQDUEUZXMDHLL-UHFFFAOYSA-N
XLogP3.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 103539431
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 114926628
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967702
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114926682
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925192
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
N-[[5-chloro-2-(2,2-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927217
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 102967701) is N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is COC1CN(c2cc(CNC(C)C)c(Cl)cn2)CCC1C.
What is the InChIKey of N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is QJQDUEUZXMDHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(2)18-8-13-7-16(19-9-14(13)17)20-6-5-12(3)15(10-20)21-4/h7,9,11-12,15,18H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 102967701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).