1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate

C16H17F6NO2 — CID 89480931

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H17F6NO2/c17-15(18,19)13(16(20,21)22)25-14(24)23-8-6-12(7-9-23)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyMWWNGOGZSYMETP-UHFFFAOYSA-N
MW369.31 g/mol
LogP4.57
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate (PubChem CID 89480931) has the molecular formula C16H17F6NO2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
PubChem CID89480931
Molecular FormulaC16H17F6NO2
Molecular Weight369.31 g/mol
Exact Mass369.12
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H17F6NO2/c17-15(18,19)13(16(20,21)22)25-14(24)23-8-6-12(7-9-23)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyMWWNGOGZSYMETP-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate 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

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate
CID 118098574
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(benzenesulfonamidomethyl)piperidine-1-carboxylate
CID 89480812
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 89483571
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 166650238
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1,1,1,3,3,3-hexafluoropropan-2-yl 3-[2-[2-(2-phenylethyl)hydrazinyl]ethyl]azetidine-1-carboxylate
CID 151837035

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate (CID 89480931) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate?
The InChIKey is MWWNGOGZSYMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6NO2/c17-15(18,19)13(16(20,21)22)25-14(24)23-8-6-12(7-9-23)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate has a molecular weight of 369.31 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 89480931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).