N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C16H26ClN3 — CID 62930984

IUPACN-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCC(C)(C)CC2)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-12(2)18-10-13-9-14(17)15(19-11-13)20-7-5-16(3,4)6-8-20/h9,11-12,18H,5-8,10H2,1-4H3
InChIKeyCEJUXQWVXDYPET-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.86
Rot. Bonds4

About N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62930984) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62930984
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCC(C)(C)CC2)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-12(2)18-10-13-9-14(17)15(19-11-13)20-7-5-16(3,4)6-8-20/h9,11-12,18H,5-8,10H2,1-4H3
InChIKeyCEJUXQWVXDYPET-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

Analyze N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 103502958
N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280716
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
N-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62281197
3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 63159235
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638608
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62490052
3-[3-chloro-5-(chloromethyl)-2-pyridinyl]-3-azaspiro[5.5]undecane
CID 63445999
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62930984) is N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCC(C)(C)CC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is CEJUXQWVXDYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-12(2)18-10-13-9-14(17)15(19-11-13)20-7-5-16(3,4)6-8-20/h9,11-12,18H,5-8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-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-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62930984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).