N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C15H22ClN3 — CID 62286936

IUPACN-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCN(c2ncc(CNC3CC3)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3/c1-11-4-6-19(7-5-11)15-14(16)8-12(10-18-15)9-17-13-2-3-13/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyZYPRRIUXKDGUEO-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.22
Rot. Bonds4

About N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62286936) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62286936
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCN(c2ncc(CNC3CC3)cc2Cl)CC1
InChIInChI=1S/C15H22ClN3/c1-11-4-6-19(7-5-11)15-14(16)8-12(10-18-15)9-17-13-2-3-13/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyZYPRRIUXKDGUEO-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62286936) is N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is CC1CCN(c2ncc(CNC3CC3)cc2Cl)CC1.
What is the InChIKey of N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZYPRRIUXKDGUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11-4-6-19(7-5-11)15-14(16)8-12(10-18-15)9-17-13-2-3-13/h8,10-11,13,17H,2-7,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 3.22, 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-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62286936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).