4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine

C14H25N3 — CID 95827895

IUPAC4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
SMILESCc1nccn1CCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H25N3/c1-12(2)16-8-4-14(5-9-16)6-10-17-11-7-15-13(17)3/h7,11-12,14H,4-6,8-10H2,1-3H3
InChIKeyMWYNQCHWKUNETA-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.70
Rot. Bonds4

About 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine

4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine (PubChem CID 95827895) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
PubChem CID95827895
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
SMILESCc1nccn1CCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H25N3/c1-12(2)16-8-4-14(5-9-16)6-10-17-11-7-15-13(17)3/h7,11-12,14H,4-6,8-10H2,1-3H3
InChIKeyMWYNQCHWKUNETA-UHFFFAOYSA-N
XLogP2.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine (CID 95827895) is 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine is Cc1nccn1CCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine?
The InChIKey is MWYNQCHWKUNETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)16-8-4-14(5-9-16)6-10-17-11-7-15-13(17)3/h7,11-12,14H,4-6,8-10H2,1-3H3.
What are the key properties of 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine?
4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine has a molecular weight of 235.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 95827895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).