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

C17H28ClN3 — CID 62279963

IUPACN-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC(C)CN(c2ccc(Cl)c(CNC(C)(C)C)n2)C1
InChIInChI=1S/C17H28ClN3/c1-12-8-13(2)11-21(10-12)16-7-6-14(18)15(20-16)9-19-17(3,4)5/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyDYRAAXSARZCAAW-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.11
Rot. Bonds3

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

N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62279963) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62279963
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC(C)CN(c2ccc(Cl)c(CNC(C)(C)C)n2)C1
InChIInChI=1S/C17H28ClN3/c1-12-8-13(2)11-21(10-12)16-7-6-14(18)15(20-16)9-19-17(3,4)5/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyDYRAAXSARZCAAW-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62279963) is N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC1CC(C)CN(c2ccc(Cl)c(CNC(C)(C)C)n2)C1.
What is the InChIKey of N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DYRAAXSARZCAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-12-8-13(2)11-21(10-12)16-7-6-14(18)15(20-16)9-19-17(3,4)5/h6-7,12-13,19H,8-11H2,1-5H3.
What are the key properties of N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.89 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62279963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).