[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate

C18H25F2NO2 — CID 174799265

IUPAC[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1(c2ccc(C(F)F)cc2)CCNCC1
InChIInChI=1S/C18H25F2NO2/c1-17(2,3)16(22)23-12-18(8-10-21-11-9-18)14-6-4-13(5-7-14)15(19)20/h4-7,15,21H,8-12H2,1-3H3
InChIKeyNKULJRRDHWYUSQ-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.83
Rot. Bonds4

About [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate

[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate (PubChem CID 174799265) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
PubChem CID174799265
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1(c2ccc(C(F)F)cc2)CCNCC1
InChIInChI=1S/C18H25F2NO2/c1-17(2,3)16(22)23-12-18(8-10-21-11-9-18)14-6-4-13(5-7-14)15(19)20/h4-7,15,21H,8-12H2,1-3H3
InChIKeyNKULJRRDHWYUSQ-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate 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

4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
CID 82480025
[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174695662
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
CID 23204459
4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929
(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate
CID 101410442
[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174820654
bis[4-(4-tert-butylphenyl)piperidin-4-yl]methanone
CID 174867448
[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174662539
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
CID 87665080
methyl 2-hydroxy-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]acetate
CID 117108668

Frequently Asked Questions

What is the IUPAC name of [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate (CID 174799265) is [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1(c2ccc(C(F)F)cc2)CCNCC1.
What is the InChIKey of [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is NKULJRRDHWYUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c1-17(2,3)16(22)23-12-18(8-10-21-11-9-18)14-6-4-13(5-7-14)15(19)20/h4-7,15,21H,8-12H2,1-3H3.
What are the key properties of [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate?
[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 325.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174799265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).