1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine

C13H23N3 — CID 174841753

IUPAC1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine
SMILESCC(C)CN1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C13H23N3/c1-11(2)10-16-5-3-12(4-6-16)7-13-8-14-15-9-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyIGJQFBMXNFKSLY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine

1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine (PubChem CID 174841753) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine
PubChem CID174841753
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine
SMILESCC(C)CN1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C13H23N3/c1-11(2)10-16-5-3-12(4-6-16)7-13-8-14-15-9-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyIGJQFBMXNFKSLY-UHFFFAOYSA-N
XLogP2.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine?
The IUPAC name of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine (CID 174841753) is 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine?
The canonical SMILES for 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine is CC(C)CN1CCC(Cc2cn[nH]c2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine?
The InChIKey is IGJQFBMXNFKSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)10-16-5-3-12(4-6-16)7-13-8-14-15-9-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine?
1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylmethyl)piperidine is sourced from PubChem (CID 174841753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).