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

C12H21N3 — CID 174735839

IUPAC1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine
SMILESCC(C)CN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C12H21N3/c1-10(2)9-15-5-3-11(4-6-15)12-7-13-14-8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyNOSFSAJPNCEIQG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds3

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

1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine (PubChem CID 174735839) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine
PubChem CID174735839
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine
SMILESCC(C)CN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C12H21N3/c1-10(2)9-15-5-3-11(4-6-15)12-7-13-14-8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyNOSFSAJPNCEIQG-UHFFFAOYSA-N
XLogP2.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
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-yl)piperidine?
The IUPAC name of 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine (CID 174735839) is 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine is CC(C)CN1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine?
The InChIKey is NOSFSAJPNCEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)9-15-5-3-11(4-6-15)12-7-13-14-8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine?
1-(2-methylpropyl)-4-(1H-pyrazol-4-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.25, 3 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-yl)piperidine is sourced from PubChem (CID 174735839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).