2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine

C85H114N4O3 — CID 159066103

IUPAC2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine
SMILESC1CCC(C(CN2CCCCC2)C2CCCCC2)CC1.CN1CCCC1CCOC(c1ccccc1)c1ccccc1.COc1ccc(CCN2CCC[C@H]2COC(c2ccccc2)c2ccccc2)cc1.c1ccc(C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO2.C20H25NO.C19H35N.C19H23N/c1-29-26-16-14-22(15-17-26)18-20-28-19-8-13-25(28)21-30-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-21-15-8-13-19(21)14-16-22-20(17-9-4-2-5-10-17)18-11-6-3-7-12-18;2*1-4-10-17(11-5-1)19(18-12-6-2-7-13-18)16-20-14-8-3-9-15-20/h2-7,9-12,14-17,25,27H,8,13,18-21H2,1H3;2-7,9-12,19-20H,8,13-16H2,1H3;17-19H,1-16H2;1-2,4-7,10-13,19H,3,8-9,14-16H2/t25-;;;/m0.../s1
InChIKeyJZBMUNQYWRIKNP-VWIQTUQXSA-N
MW1239.87 g/mol
LogP19.34
Rot. Bonds23

About 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine

2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine (PubChem CID 159066103) has the molecular formula C85H114N4O3 and a molecular weight of 1239.87 g/mol. Its IUPAC name is 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine.

Molecular Properties

Compound Name2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine
PubChem CID159066103
Molecular FormulaC85H114N4O3
Molecular Weight1239.87 g/mol
Exact Mass1238.89
IUPAC Name2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine
SMILESC1CCC(C(CN2CCCCC2)C2CCCCC2)CC1.CN1CCCC1CCOC(c1ccccc1)c1ccccc1.COc1ccc(CCN2CCC[C@H]2COC(c2ccccc2)c2ccccc2)cc1.c1ccc(C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO2.C20H25NO.C19H35N.C19H23N/c1-29-26-16-14-22(15-17-26)18-20-28-19-8-13-25(28)21-30-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-21-15-8-13-19(21)14-16-22-20(17-9-4-2-5-10-17)18-11-6-3-7-12-18;2*1-4-10-17(11-5-1)19(18-12-6-2-7-13-18)16-20-14-8-3-9-15-20/h2-7,9-12,14-17,25,27H,8,13,18-21H2,1H3;2-7,9-12,19-20H,8,13-16H2,1H3;17-19H,1-16H2;1-2,4-7,10-13,19H,3,8-9,14-16H2/t25-;;;/m0.../s1
InChIKeyJZBMUNQYWRIKNP-VWIQTUQXSA-N
XLogP19.34
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.87
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine with MolForge

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Related Compounds

(2S)-2-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]pyrrolidine;(2S)-2-[bis(4-chlorophenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;(2S)-2-[bis(4-methoxyphenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 159429693
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane
CID 159926566
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
(2R)-2-hydroxy-2-phenylacetic acid;11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine
CID 131717092

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine?
The IUPAC name of 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine (CID 159066103) is 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine.
What is the SMILES notation for 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine?
The canonical SMILES for 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine is C1CCC(C(CN2CCCCC2)C2CCCCC2)CC1.CN1CCCC1CCOC(c1ccccc1)c1ccccc1.COc1ccc(CCN2CCC[C@H]2COC(c2ccccc2)c2ccccc2)cc1.c1ccc(C(CN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine?
The InChIKey is JZBMUNQYWRIKNP-VWIQTUQXSA-N. The full InChI is InChI=1S/C27H31NO2.C20H25NO.C19H35N.C19H23N/c1-29-26-16-14-22(15-17-26)18-20-28-19-8-13-25(28)21-30-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-21-15-8-13-19(21)14-16-22-20(17-9-4-2-5-10-17)18-11-6-3-7-12-18;2*1-4-10-17(11-5-1)19(18-12-6-2-7-13-18)16-20-14-8-3-9-15-20/h2-7,9-12,14-17,25,27H,8,13,18-21H2,1H3;2-7,9-12,19-20H,8,13-16H2,1H3;17-19H,1-16H2;1-2,4-7,10-13,19H,3,8-9,14-16H2/t25-;;;/m0.../s1.
What are the key properties of 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine?
2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine has a molecular weight of 1239.87 g/mol, XLogP of 19.34, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine is sourced from PubChem (CID 159066103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).