2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

C19H28ClNO2 — CID 2905562

IUPAC2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO2.ClH/c21-18(22-16-15-20-13-7-2-8-14-20)19(11-5-6-12-19)17-9-3-1-4-10-17;/h1,3-4,9-10H,2,5-8,11-16H2;1H
InChIKeyZPWDWVMNJLABAL-UHFFFAOYSA-N
MW337.89 g/mol
LogP3.95
Rot. Bonds5

About 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (PubChem CID 2905562) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
PubChem CID2905562
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO2.ClH/c21-18(22-16-15-20-13-7-2-8-14-20)19(11-5-6-12-19)17-9-3-1-4-10-17;/h1,3-4,9-10H,2,5-8,11-16H2;1H
InChIKeyZPWDWVMNJLABAL-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (CID 2905562) is 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCCCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The InChIKey is ZPWDWVMNJLABAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2.ClH/c21-18(22-16-15-20-13-7-2-8-14-20)19(11-5-6-12-19)17-9-3-1-4-10-17;/h1,3-4,9-10H,2,5-8,11-16H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 2905562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).