2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate

C20H30F2N2O2 — CID 175013804

IUPAC2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)N(CCc1ccccc1)C(=O)OCCN1CCCC(F)(F)C1
InChIInChI=1S/C20H30F2N2O2/c1-19(2,3)24(13-10-17-8-5-4-6-9-17)18(25)26-15-14-23-12-7-11-20(21,22)16-23/h4-6,8-9H,7,10-16H2,1-3H3
InChIKeyAUBJZZHMADNVFO-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.20
Rot. Bonds6

About 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate

2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate (PubChem CID 175013804) has the molecular formula C20H30F2N2O2 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
PubChem CID175013804
Molecular FormulaC20H30F2N2O2
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)N(CCc1ccccc1)C(=O)OCCN1CCCC(F)(F)C1
InChIInChI=1S/C20H30F2N2O2/c1-19(2,3)24(13-10-17-8-5-4-6-9-17)18(25)26-15-14-23-12-7-11-20(21,22)16-23/h4-6,8-9H,7,10-16H2,1-3H3
InChIKeyAUBJZZHMADNVFO-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175337647
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
2-(2-fluoroethoxy)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013794
tert-butyl 3-[benzyl(2-phenylethyl)amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate
CID 129219796
2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175012156
[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175009875
[5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-oxopentyl] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 90699319
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate
CID 175009433
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
ethyl 2-(1-benzyl-3-hydroxypiperidin-3-yl)-2-fluoroacetate
CID 79369064
tert-butyl 3-[benzyl(2-phenylethyl)amino]-5-(4,4-difluoropiperidin-1-yl)pentanoate
CID 129219753

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate (CID 175013804) is 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate is CC(C)(C)N(CCc1ccccc1)C(=O)OCCN1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The InChIKey is AUBJZZHMADNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2O2/c1-19(2,3)24(13-10-17-8-5-4-6-9-17)18(25)26-15-14-23-12-7-11-20(21,22)16-23/h4-6,8-9H,7,10-16H2,1-3H3.
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate has a molecular weight of 368.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 175013804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).