4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine

C12H20ClN3 — CID 117259172

IUPAC4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ncc(Cl)n2C)CC1
InChIInChI=1S/C12H20ClN3/c1-9(2)16-6-4-10(5-7-16)12-14-8-11(13)15(12)3/h8-10H,4-7H2,1-3H3
InChIKeyDQDHDZCMHMPAKI-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.66
Rot. Bonds2

About 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine

4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine (PubChem CID 117259172) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
PubChem CID117259172
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ncc(Cl)n2C)CC1
InChIInChI=1S/C12H20ClN3/c1-9(2)16-6-4-10(5-7-16)12-14-8-11(13)15(12)3/h8-10H,4-7H2,1-3H3
InChIKeyDQDHDZCMHMPAKI-UHFFFAOYSA-N
XLogP2.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine (CID 117259172) is 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine is CC(C)N1CCC(c2ncc(Cl)n2C)CC1.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is DQDHDZCMHMPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(2)16-6-4-10(5-7-16)12-14-8-11(13)15(12)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine?
4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 241.77 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 117259172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).