(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate

C12H25NO — CID 171846998

IUPAC(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
SMILESC[C@@H]1CCN(C2CCC2)CC1(C)C.O
InChIInChI=1S/C12H23N.H2O/c1-10-7-8-13(9-12(10,2)3)11-5-4-6-11;/h10-11H,4-9H2,1-3H3;1H2/t10-;/m1./s1
InChIKeyMFHCOZBKIIVLAZ-HNCPQSOCSA-N
MW199.34 g/mol
LogP2.08
Rot. Bonds1

About (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate

(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate (PubChem CID 171846998) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate.

Molecular Properties

Compound Name(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
PubChem CID171846998
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
SMILESC[C@@H]1CCN(C2CCC2)CC1(C)C.O
InChIInChI=1S/C12H23N.H2O/c1-10-7-8-13(9-12(10,2)3)11-5-4-6-11;/h10-11H,4-9H2,1-3H3;1H2/t10-;/m1./s1
InChIKeyMFHCOZBKIIVLAZ-HNCPQSOCSA-N
XLogP2.08
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate 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

(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
[3-(3,3,4-trimethylpiperidin-1-yl)cyclobutyl] hypoiodite
CID 166077704
1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine
CID 117025004
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine
CID 114267616
3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
CID 143483566
(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 144948013
3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 160999736
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
1-cyclobutyl-N,4-dimethylpiperidin-4-amine
CID 115304164
1-cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate?
The IUPAC name of (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate (CID 171846998) is (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate.
What is the SMILES notation for (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate?
The canonical SMILES for (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate is C[C@@H]1CCN(C2CCC2)CC1(C)C.O.
What is the InChIKey of (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate?
The InChIKey is MFHCOZBKIIVLAZ-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H23N.H2O/c1-10-7-8-13(9-12(10,2)3)11-5-4-6-11;/h10-11H,4-9H2,1-3H3;1H2/t10-;/m1./s1.
What are the key properties of (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate?
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate has a molecular weight of 199.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate is sourced from PubChem (CID 171846998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).