(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride

C21H27ClN2O2 — CID 3056701

IUPAC(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
SMILESCl.O=C(Nc1ccccc1)OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(22-19-12-6-2-7-13-19)25-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24);1H
InChIKeyYIVZDEBJUCEUTR-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.27
Rot. Bonds6

About (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride

(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride (PubChem CID 3056701) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride.

Molecular Properties

Compound Name(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
PubChem CID3056701
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
SMILESCl.O=C(Nc1ccccc1)OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(22-19-12-6-2-7-13-19)25-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24);1H
InChIKeyYIVZDEBJUCEUTR-UHFFFAOYSA-N
XLogP5.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
CID 7211572
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
CID 171986616
[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate
CID 23836660
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
CID 11035624
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-(6,6-diphenylhexyl)piperidine
CID 161365973
2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
CID 134064612
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate
CID 23808265

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride?
The IUPAC name of (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride (CID 3056701) is (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride.
What is the SMILES notation for (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride?
The canonical SMILES for (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride is Cl.O=C(Nc1ccccc1)OC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride?
The InChIKey is YIVZDEBJUCEUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c24-21(22-19-12-6-2-7-13-19)25-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24);1H.
What are the key properties of (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride?
(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride is sourced from PubChem (CID 3056701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).