2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid

C20H23FN2O2 — CID 66660711

IUPAC2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-5-1-16(2-6-18)17-3-7-19(8-4-17)23-13-10-15(11-14-23)9-12-22-20(24)25/h1-8,15,22H,9-14H2,(H,24,25)
InChIKeyVVXGQQUNAQEUNY-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.37
Rot. Bonds5

About 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 66660711) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID66660711
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-5-1-16(2-6-18)17-3-7-19(8-4-17)23-13-10-15(11-14-23)9-12-22-20(24)25/h1-8,15,22H,9-14H2,(H,24,25)
InChIKeyVVXGQQUNAQEUNY-UHFFFAOYSA-N
XLogP4.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
CID 66660874
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
CID 86661351
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136738
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
CID 67396623

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid (CID 66660711) is 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid is O=C(O)NCCC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is VVXGQQUNAQEUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-5-1-16(2-6-18)17-3-7-19(8-4-17)23-13-10-15(11-14-23)9-12-22-20(24)25/h1-8,15,22H,9-14H2,(H,24,25).
What are the key properties of 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 342.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 66660711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).