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

C17H27BrN2O2 — CID 3056703

IUPAC(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide
SMILESBr.CCNC(=O)OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2.BrH/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);1H
InChIKeyXYKLSUCHTAEKLJ-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.93
Rot. Bonds6

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

(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide (PubChem CID 3056703) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide.

Molecular Properties

Compound Name(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide
PubChem CID3056703
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC Name(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide
SMILESBr.CCNC(=O)OC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2.BrH/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);1H
InChIKeyXYKLSUCHTAEKLJ-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3157460
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CID 46884035
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CID 9861019
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CID 13196227
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CID 13196229
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CID 1514304
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CID 14568365
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CID 15222390
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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide?
The IUPAC name of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide (CID 3056703) is (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide.
What is the SMILES notation for (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide?
The canonical SMILES for (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide is Br.CCNC(=O)OC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide?
The InChIKey is XYKLSUCHTAEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.BrH/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);1H.
What are the key properties of (1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide?
(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate;hydrobromide has a molecular weight of 371.32 g/mol, XLogP of 3.93, 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;hydrobromide is sourced from PubChem (CID 3056703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).