2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride

C22H35ClN2O2 — CID 45261250

IUPAC2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-3-23(4-2)17-18-26-21(25)22(13-5-6-14-22)19-9-11-20(12-10-19)24-15-7-8-16-24;/h9-12H,3-8,13-18H2,1-2H3;1H
InChIKeyBPQIIXPQYBFACP-UHFFFAOYSA-N
MW394.99 g/mol
LogP4.41
Rot. Bonds8

About 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride

2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride (PubChem CID 45261250) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride
PubChem CID45261250
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC Name2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-3-23(4-2)17-18-26-21(25)22(13-5-6-14-22)19-9-11-20(12-10-19)24-15-7-8-16-24;/h9-12H,3-8,13-18H2,1-2H3;1H
InChIKeyBPQIIXPQYBFACP-UHFFFAOYSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride (CID 45261250) is 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride is CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride?
The InChIKey is BPQIIXPQYBFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.ClH/c1-3-23(4-2)17-18-26-21(25)22(13-5-6-14-22)19-9-11-20(12-10-19)24-15-7-8-16-24;/h9-12H,3-8,13-18H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride?
2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45261250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).