N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C16H24ClN3O — CID 107395309

IUPACN-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCOC1(C)CCCN(c2ncc(CNC3CC3)cc2Cl)C1
InChIInChI=1S/C16H24ClN3O/c1-16(21-2)6-3-7-20(11-16)15-14(17)8-12(10-19-15)9-18-13-4-5-13/h8,10,13,18H,3-7,9,11H2,1-2H3
InChIKeyJGWGPQBUDNFMBZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.99
Rot. Bonds5

About N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 107395309) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID107395309
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCOC1(C)CCCN(c2ncc(CNC3CC3)cc2Cl)C1
InChIInChI=1S/C16H24ClN3O/c1-16(21-2)6-3-7-20(11-16)15-14(17)8-12(10-19-15)9-18-13-4-5-13/h8,10,13,18H,3-7,9,11H2,1-2H3
InChIKeyJGWGPQBUDNFMBZ-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279476
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385
N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55055019
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62930984
N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107395572
N-[[5-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 106589185
N-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62281197

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 107395309) is N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is COC1(C)CCCN(c2ncc(CNC3CC3)cc2Cl)C1.
What is the InChIKey of N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JGWGPQBUDNFMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-16(21-2)6-3-7-20(11-16)15-14(17)8-12(10-19-15)9-18-13-4-5-13/h8,10,13,18H,3-7,9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 309.84 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107395309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).