1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol

C14H25N3O — CID 70723789

IUPAC1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C14H25N3O/c1-11(2)7-14(18)12-3-5-17(6-4-12)9-13-8-15-10-16-13/h8,10-12,14,18H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyDTBUBHRBCIWKKR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol

1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 70723789) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID70723789
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C14H25N3O/c1-11(2)7-14(18)12-3-5-17(6-4-12)9-13-8-15-10-16-13/h8,10-12,14,18H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyDTBUBHRBCIWKKR-UHFFFAOYSA-N
XLogP2.03
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
(3R*,4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,4-dimethylpiperidin-4-ol
CID 70775672
(4S)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
CID 31016417
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
[3-[(dimethylamino)methyl]-1-(1H-imidazol-4-ylmethyl)piperidin-3-yl]methanol
CID 77088374
N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
CID 164636900
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol
CID 170707652
4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol
CID 111462342

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol (CID 70723789) is 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol is CC(C)CC(O)C1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is DTBUBHRBCIWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)7-14(18)12-3-5-17(6-4-12)9-13-8-15-10-16-13/h8,10-12,14,18H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol?
1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 70723789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).