N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine

C13H20N4 — CID 62592661

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
SMILESc1cnc(N2CCC(CNC3CC3)CC2)cn1
InChIInChI=1S/C13H20N4/c1-2-12(1)16-9-11-3-7-17(8-4-11)13-10-14-5-6-15-13/h5-6,10-12,16H,1-4,7-9H2
InChIKeyAXMSFNPZBNWQOQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds4

About N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine (PubChem CID 62592661) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
PubChem CID62592661
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
SMILESc1cnc(N2CCC(CNC3CC3)CC2)cn1
InChIInChI=1S/C13H20N4/c1-2-12(1)16-9-11-3-7-17(8-4-11)13-10-14-5-6-15-13/h5-6,10-12,16H,1-4,7-9H2
InChIKeyAXMSFNPZBNWQOQ-UHFFFAOYSA-N
XLogP1.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
N-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]cyclopropanamine
CID 55090808
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
2,3,4,5,6-pentamethyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108339
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108282
N-(cyclopropylmethyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-amine
CID 115307509

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine (CID 62592661) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine is c1cnc(N2CCC(CNC3CC3)CC2)cn1.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
The InChIKey is AXMSFNPZBNWQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-12(1)16-9-11-3-7-17(8-4-11)13-10-14-5-6-15-13/h5-6,10-12,16H,1-4,7-9H2.
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine has a molecular weight of 232.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62592661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).