(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine

C14H25N3O — CID 164637986

IUPAC(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
SMILESCCCCc1ncc(CN2CCC[C@H](OC)C2)[nH]1
InChIInChI=1S/C14H25N3O/c1-3-4-7-14-15-9-12(16-14)10-17-8-5-6-13(11-17)18-2/h9,13H,3-8,10-11H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyJJOBRVLQIHYLAL-ZDUSSCGKSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds6

About (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine

(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine (PubChem CID 164637986) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
PubChem CID164637986
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
SMILESCCCCc1ncc(CN2CCC[C@H](OC)C2)[nH]1
InChIInChI=1S/C14H25N3O/c1-3-4-7-14-15-9-12(16-14)10-17-8-5-6-13(11-17)18-2/h9,13H,3-8,10-11H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyJJOBRVLQIHYLAL-ZDUSSCGKSA-N
XLogP2.36
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine 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 (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine?
The IUPAC name of (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine (CID 164637986) is (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine.
What is the SMILES notation for (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine?
The canonical SMILES for (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine is CCCCc1ncc(CN2CCC[C@H](OC)C2)[nH]1.
What is the InChIKey of (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine?
The InChIKey is JJOBRVLQIHYLAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-4-7-14-15-9-12(16-14)10-17-8-5-6-13(11-17)18-2/h9,13H,3-8,10-11H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine?
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine has a molecular weight of 251.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine is sourced from PubChem (CID 164637986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).