1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine

C13H22N4 — CID 43747132

IUPAC1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
SMILESCn1nccc1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C13H22N4/c1-16-13(4-7-15-16)10-14-11-5-8-17(9-6-11)12-2-3-12/h4,7,11-12,14H,2-3,5-6,8-10H2,1H3
InChIKeySOWWMJKSXKMICM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.14
Rot. Bonds4

About 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine (PubChem CID 43747132) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
PubChem CID43747132
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
SMILESCn1nccc1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C13H22N4/c1-16-13(4-7-15-16)10-14-11-5-8-17(9-6-11)12-2-3-12/h4,7,11-12,14H,2-3,5-6,8-10H2,1H3
InChIKeySOWWMJKSXKMICM-UHFFFAOYSA-N
XLogP1.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine (CID 43747132) is 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine is Cn1nccc1CNC1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is SOWWMJKSXKMICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-13(4-7-15-16)10-14-11-5-8-17(9-6-11)12-2-3-12/h4,7,11-12,14H,2-3,5-6,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43747132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).