4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine

C13H21N3 — CID 90488066

IUPAC4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine
SMILESCc1cnc(C2CC2)n1CC1CCNCC1
InChIInChI=1S/C13H21N3/c1-10-8-15-13(12-2-3-12)16(10)9-11-4-6-14-7-5-11/h8,11-12,14H,2-7,9H2,1H3
InChIKeyPYFPFHIUUDSYBV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.07
Rot. Bonds3

About 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine

4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine (PubChem CID 90488066) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine
PubChem CID90488066
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine
SMILESCc1cnc(C2CC2)n1CC1CCNCC1
InChIInChI=1S/C13H21N3/c1-10-8-15-13(12-2-3-12)16(10)9-11-4-6-14-7-5-11/h8,11-12,14H,2-7,9H2,1H3
InChIKeyPYFPFHIUUDSYBV-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine (CID 90488066) is 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine is Cc1cnc(C2CC2)n1CC1CCNCC1.
What is the InChIKey of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine?
The InChIKey is PYFPFHIUUDSYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-8-15-13(12-2-3-12)16(10)9-11-4-6-14-7-5-11/h8,11-12,14H,2-7,9H2,1H3.
What are the key properties of 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine?
4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90488066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).