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

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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).