(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride

C27H30ClNO2 — CID 86127745

IUPAC(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride
SMILESCl.O=C(OCC(c1ccccc1)N1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO2.ClH/c29-27(26(23-15-7-2-8-16-23)24-17-9-3-10-18-24)30-21-25(22-13-5-1-6-14-22)28-19-11-4-12-20-28;/h1-3,5-10,13-18,25-26H,4,11-12,19-21H2;1H
InChIKeyQLSLEVBNBCJVSL-UHFFFAOYSA-N
MW436.00 g/mol
LogP6.01
Rot. Bonds7

About (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride

(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride (PubChem CID 86127745) has the molecular formula C27H30ClNO2 and a molecular weight of 436.00 g/mol. Its IUPAC name is (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride
PubChem CID86127745
Molecular FormulaC27H30ClNO2
Molecular Weight436.00 g/mol
Exact Mass435.20
IUPAC Name(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride
SMILESCl.O=C(OCC(c1ccccc1)N1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO2.ClH/c29-27(26(23-15-7-2-8-16-23)24-17-9-3-10-18-24)30-21-25(22-13-5-1-6-14-22)28-19-11-4-12-20-28;/h1-3,5-10,13-18,25-26H,4,11-12,19-21H2;1H
InChIKeyQLSLEVBNBCJVSL-UHFFFAOYSA-N
XLogP6.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride
CID 24845460
1-(2-methoxy-1-phenylethyl)pyrrolidine
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2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
methyl 2-nitro-4-phenyl-4-piperidin-1-ylbutanoate
CID 102395785
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride?
The IUPAC name of (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride (CID 86127745) is (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride is Cl.O=C(OCC(c1ccccc1)N1CCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride?
The InChIKey is QLSLEVBNBCJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2.ClH/c29-27(26(23-15-7-2-8-16-23)24-17-9-3-10-18-24)30-21-25(22-13-5-1-6-14-22)28-19-11-4-12-20-28;/h1-3,5-10,13-18,25-26H,4,11-12,19-21H2;1H.
What are the key properties of (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride?
(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 86127745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).