(3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine

C14H25N3 — CID 134236230

IUPAC(3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine
SMILESCc1nc(CN2CCC[C@H](C(C)C)C2)[nH]c1C
InChIInChI=1S/C14H25N3/c1-10(2)13-6-5-7-17(8-13)9-14-15-11(3)12(4)16-14/h10,13H,5-9H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKeyOUWUVCUKLFJARG-ZDUSSCGKSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds3

About (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine

(3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine (PubChem CID 134236230) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine
PubChem CID134236230
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine
SMILESCc1nc(CN2CCC[C@H](C(C)C)C2)[nH]c1C
InChIInChI=1S/C14H25N3/c1-10(2)13-6-5-7-17(8-13)9-14-15-11(3)12(4)16-14/h10,13H,5-9H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKeyOUWUVCUKLFJARG-ZDUSSCGKSA-N
XLogP2.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
The IUPAC name of (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine (CID 134236230) is (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine.
What is the SMILES notation for (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
The canonical SMILES for (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine is Cc1nc(CN2CCC[C@H](C(C)C)C2)[nH]c1C.
What is the InChIKey of (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
The InChIKey is OUWUVCUKLFJARG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)13-6-5-7-17(8-13)9-14-15-11(3)12(4)16-14/h10,13H,5-9H2,1-4H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
(3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine has a molecular weight of 235.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine is sourced from PubChem (CID 134236230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).