1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine

C13H21N3 — CID 86806817

IUPAC1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine
SMILESCC1CC1CN1CCCC(n2cccn2)C1
InChIInChI=1S/C13H21N3/c1-11-8-12(11)9-15-6-2-4-13(10-15)16-7-3-5-14-16/h3,5,7,11-13H,2,4,6,8-10H2,1H3
InChIKeyDGNVTCBDABDRFN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds3

About 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine

1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine (PubChem CID 86806817) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine
PubChem CID86806817
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine
SMILESCC1CC1CN1CCCC(n2cccn2)C1
InChIInChI=1S/C13H21N3/c1-11-8-12(11)9-15-6-2-4-13(10-15)16-7-3-5-14-16/h3,5,7,11-13H,2,4,6,8-10H2,1H3
InChIKeyDGNVTCBDABDRFN-UHFFFAOYSA-N
XLogP2.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine?
The IUPAC name of 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine (CID 86806817) is 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine is CC1CC1CN1CCCC(n2cccn2)C1.
What is the InChIKey of 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine?
The InChIKey is DGNVTCBDABDRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-8-12(11)9-15-6-2-4-13(10-15)16-7-3-5-14-16/h3,5,7,11-13H,2,4,6,8-10H2,1H3.
What are the key properties of 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine?
1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine is sourced from PubChem (CID 86806817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).