1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine

C32H37F2N — CID 175623687

IUPAC1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine
SMILESC=C(CC)C(C)(C)Cc1cccc(C2CCCN(Cc3cccc(-c4ccc(F)c(F)c4)c3)C2)c1
InChIInChI=1S/C32H37F2N/c1-5-23(2)32(3,4)20-24-9-6-12-27(17-24)29-13-8-16-35(22-29)21-25-10-7-11-26(18-25)28-14-15-30(33)31(34)19-28/h6-7,9-12,14-15,17-19,29H,2,5,8,13,16,20-22H2,1,3-4H3
InChIKeyWXQBHOGRWOLPMZ-UHFFFAOYSA-N
MW473.65 g/mol
LogP8.55
Rot. Bonds8

About 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine

1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine (PubChem CID 175623687) has the molecular formula C32H37F2N and a molecular weight of 473.65 g/mol. Its IUPAC name is 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine
PubChem CID175623687
Molecular FormulaC32H37F2N
Molecular Weight473.65 g/mol
Exact Mass473.29
IUPAC Name1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine
SMILESC=C(CC)C(C)(C)Cc1cccc(C2CCCN(Cc3cccc(-c4ccc(F)c(F)c4)c3)C2)c1
InChIInChI=1S/C32H37F2N/c1-5-23(2)32(3,4)20-24-9-6-12-27(17-24)29-13-8-16-35(22-29)21-25-10-7-11-26(18-25)28-14-15-30(33)31(34)19-28/h6-7,9-12,14-15,17-19,29H,2,5,8,13,16,20-22H2,1,3-4H3
InChIKeyWXQBHOGRWOLPMZ-UHFFFAOYSA-N
XLogP8.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.65
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(3,4-difluorophenyl)phenyl]ethenyl]-3-[3-(2,2-dimethylbut-3-enyl)phenyl]piperidine
CID 175623536
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
N-[(1R)-1-[3-[[3-(3,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 158888011
(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methoxyphenyl)methyl]piperidine
CID 42479446
3-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 134796413
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134795997
7-[1-[[3-(4-chlorophenyl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471119
3-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97197480
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine?
The IUPAC name of 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine (CID 175623687) is 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine.
What is the SMILES notation for 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine?
The canonical SMILES for 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine is C=C(CC)C(C)(C)Cc1cccc(C2CCCN(Cc3cccc(-c4ccc(F)c(F)c4)c3)C2)c1.
What is the InChIKey of 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine?
The InChIKey is WXQBHOGRWOLPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F2N/c1-5-23(2)32(3,4)20-24-9-6-12-27(17-24)29-13-8-16-35(22-29)21-25-10-7-11-26(18-25)28-14-15-30(33)31(34)19-28/h6-7,9-12,14-15,17-19,29H,2,5,8,13,16,20-22H2,1,3-4H3.
What are the key properties of 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine?
1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine has a molecular weight of 473.65 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine is sourced from PubChem (CID 175623687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).