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

C17H28ClN3 — CID 62285541

IUPACN-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(N2CCCC(C)C2C)ccc1Cl
InChIInChI=1S/C17H28ClN3/c1-12(2)10-19-11-16-15(18)7-8-17(20-16)21-9-5-6-13(3)14(21)4/h7-8,12-14,19H,5-6,9-11H2,1-4H3
InChIKeyDJFJVZILPQANSV-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.11
Rot. Bonds5

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

N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62285541) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62285541
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(N2CCCC(C)C2C)ccc1Cl
InChIInChI=1S/C17H28ClN3/c1-12(2)10-19-11-16-15(18)7-8-17(20-16)21-9-5-6-13(3)14(21)4/h7-8,12-14,19H,5-6,9-11H2,1-4H3
InChIKeyDJFJVZILPQANSV-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577
N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412626
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295326
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63866665
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[3-chloro-6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 83061614
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 80951632
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288591
N-[[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62386003

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62285541) is N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(N2CCCC(C)C2C)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DJFJVZILPQANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-12(2)10-19-11-16-15(18)7-8-17(20-16)21-9-5-6-13(3)14(21)4/h7-8,12-14,19H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.89 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62285541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).