4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile

C15H22N4 — CID 103203012

IUPAC4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCn1cc(CNC2CCN(C3CC3)CC2)cc1C#N
InChIInChI=1S/C15H22N4/c1-18-11-12(8-15(18)9-16)10-17-13-4-6-19(7-5-13)14-2-3-14/h8,11,13-14,17H,2-7,10H2,1H3
InChIKeyUCPFTNYPZZVFBT-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.61
Rot. Bonds4

About 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103203012) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103203012
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCn1cc(CNC2CCN(C3CC3)CC2)cc1C#N
InChIInChI=1S/C15H22N4/c1-18-11-12(8-15(18)9-16)10-17-13-4-6-19(7-5-13)14-2-3-14/h8,11,13-14,17H,2-7,10H2,1H3
InChIKeyUCPFTNYPZZVFBT-UHFFFAOYSA-N
XLogP1.61
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile (CID 103203012) is 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile is Cn1cc(CNC2CCN(C3CC3)CC2)cc1C#N.
What is the InChIKey of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is UCPFTNYPZZVFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18-11-12(8-15(18)9-16)10-17-13-4-6-19(7-5-13)14-2-3-14/h8,11,13-14,17H,2-7,10H2,1H3.
What are the key properties of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103203012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).