2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate

C23H27NO2 — CID 76961064

IUPAC2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
SMILESO=C(OCCN1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2/t21-/m1/s1
InChIKeyRBGWIGCQQIJVGI-OAQYLSRUSA-N
MW349.47 g/mol
LogP4.02
Rot. Bonds6

About 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate

2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate (PubChem CID 76961064) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
PubChem CID76961064
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
SMILESO=C(OCCN1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2/t21-/m1/s1
InChIKeyRBGWIGCQQIJVGI-OAQYLSRUSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-N-(2-piperidin-1-ylethyl)cyclopropane-1-carboxamide
CID 171979462
benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
CID 177499812
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
CID 11873393
2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
CID 20511851
2-piperidin-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 1089171
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
2-(azepan-1-yl)ethyl 3,3-diphenylpropanoate;oxalic acid
CID 54582119
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
trans-diethyl (1S,2S)-3-phenyl-3-piperidin-1-ylcyclopropane-1,2-dicarboxylate
CID 102389050
2-[2,2-diphenyl-1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 70460207

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate (CID 76961064) is 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate is O=C(OCCN1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate?
The InChIKey is RBGWIGCQQIJVGI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2/t21-/m1/s1.
What are the key properties of 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate?
2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 76961064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).