benzhydryl N-(2-piperidin-1-ylethyl)carbamate

C21H26N2O2 — CID 171986616

IUPACbenzhydryl N-(2-piperidin-1-ylethyl)carbamate
SMILESO=C(NCCN1CCCCC1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-21(22-14-17-23-15-8-3-9-16-23)25-20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
InChIKeyCCHFIQGMTSSYCR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.99
Rot. Bonds6

About benzhydryl N-(2-piperidin-1-ylethyl)carbamate

benzhydryl N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 171986616) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is benzhydryl N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Namebenzhydryl N-(2-piperidin-1-ylethyl)carbamate
PubChem CID171986616
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namebenzhydryl N-(2-piperidin-1-ylethyl)carbamate
SMILESO=C(NCCN1CCCCC1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-21(22-14-17-23-15-8-3-9-16-23)25-20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
InChIKeyCCHFIQGMTSSYCR-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794
(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
CID 3056701
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 23738363
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769

Frequently Asked Questions

What is the IUPAC name of benzhydryl N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of benzhydryl N-(2-piperidin-1-ylethyl)carbamate (CID 171986616) is benzhydryl N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for benzhydryl N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for benzhydryl N-(2-piperidin-1-ylethyl)carbamate is O=C(NCCN1CCCCC1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is CCHFIQGMTSSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(22-14-17-23-15-8-3-9-16-23)25-20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24).
What are the key properties of benzhydryl N-(2-piperidin-1-ylethyl)carbamate?
benzhydryl N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 171986616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).