N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine

C16H25N3 — CID 81311172

IUPACN-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(C2C(CNC3CC3)CCCN2C)nc1
InChIInChI=1S/C16H25N3/c1-12-5-8-15(18-10-12)16-13(4-3-9-19(16)2)11-17-14-6-7-14/h5,8,10,13-14,16-17H,3-4,6-7,9,11H2,1-2H3
InChIKeyFNRKITVRALBWTK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.52
Rot. Bonds4

About N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 81311172) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID81311172
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(C2C(CNC3CC3)CCCN2C)nc1
InChIInChI=1S/C16H25N3/c1-12-5-8-15(18-10-12)16-13(4-3-9-19(16)2)11-17-14-6-7-14/h5,8,10,13-14,16-17H,3-4,6-7,9,11H2,1-2H3
InChIKeyFNRKITVRALBWTK-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine (CID 81311172) is N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine is Cc1ccc(C2C(CNC3CC3)CCCN2C)nc1.
What is the InChIKey of N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is FNRKITVRALBWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-5-8-15(18-10-12)16-13(4-3-9-19(16)2)11-17-14-6-7-14/h5,8,10,13-14,16-17H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81311172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).