(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate

C17H26N2O2 — CID 3056704

IUPAC(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate
SMILESCCNC(=O)OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-18-17(20)21-16(15-9-5-3-6-10-15)11-14-19-12-7-4-8-13-19/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,18,20)
InChIKeySSIXYBBQXJIUNE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds6

About (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate

(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate (PubChem CID 3056704) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate.

Molecular Properties

Compound Name(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate
PubChem CID3056704
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate
SMILESCCNC(=O)OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-18-17(20)21-16(15-9-5-3-6-10-15)11-14-19-12-7-4-8-13-19/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,18,20)
InChIKeySSIXYBBQXJIUNE-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl piperazine-1-carboxylate
CID 643495
2-(4-(Benzyloxy)piperidin-1-yl)-N-methylethanamine
CID 53868701
Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
Benzyl 1-phenylethylcarbamate
CID 9837961
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
4-(Benzyloxy)piperidine
CID 3157460
(S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylcarbamate
CID 11679149
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate?
The IUPAC name of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate (CID 3056704) is (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate.
What is the SMILES notation for (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate?
The canonical SMILES for (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate is CCNC(=O)OC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate?
The InChIKey is SSIXYBBQXJIUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-18-17(20)21-16(15-9-5-3-6-10-15)11-14-19-12-7-4-8-13-19/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,18,20).
What are the key properties of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate?
(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 3.35, 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-ethylcarbamate is sourced from PubChem (CID 3056704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).