ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride

C17H26ClNO2 — CID 6603291

IUPACethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCCc2ccccc2)C1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-2-20-17(19)16-11-7-13-18(14-16)12-6-10-15-8-4-3-5-9-15;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H
InChIKeyGYXLPVSKCANQAC-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.32
Rot. Bonds6

About ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride

ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride (PubChem CID 6603291) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
PubChem CID6603291
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Nameethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CCCc2ccccc2)C1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-2-20-17(19)16-11-7-13-18(14-16)12-6-10-15-8-4-3-5-9-15;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H
InChIKeyGYXLPVSKCANQAC-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
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CID 40800660
ethyl 1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylate
CID 57031215
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
CID 10271712
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl (3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylate
CID 70203449
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride (CID 6603291) is ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(CCCc2ccccc2)C1.Cl.
What is the InChIKey of ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride?
The InChIKey is GYXLPVSKCANQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.ClH/c1-2-20-17(19)16-11-7-13-18(14-16)12-6-10-15-8-4-3-5-9-15;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H.
What are the key properties of ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride?
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride has a molecular weight of 311.85 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 6603291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).