4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine

C30H35NO — CID 10432552

IUPAC4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine
SMILESC=C(C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H35NO/c1-24(2)27-15-13-26(14-16-27)23-31-20-17-25(18-21-31)19-22-32-30(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,25,30H,1,17-23H2,2H3
InChIKeyCBTZWAGMSGXAIF-UHFFFAOYSA-N
MW425.62 g/mol
LogP7.13
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine (PubChem CID 10432552) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine
PubChem CID10432552
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine
SMILESC=C(C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H35NO/c1-24(2)27-15-13-26(14-16-27)23-31-20-17-25(18-21-31)19-22-32-30(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,25,30H,1,17-23H2,2H3
InChIKeyCBTZWAGMSGXAIF-UHFFFAOYSA-N
XLogP7.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3103
Diphenylpyraline Hydrochloride
CID 66063
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1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-methoxy-4-phenylpiperidine
CID 10043898
1-Benzhydryl-4-phenyl-4-propoxypiperidine
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1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylbut-3-en-1-yl)piperazine
CID 24825327
1-(2-Benzylprop-2-en-1-yl)-4-[2-(diphenylmethoxy)ethyl]piperazine
CID 24825331
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperidine
CID 44316307
4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine (CID 10432552) is 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine is C=C(C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine?
The InChIKey is CBTZWAGMSGXAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-24(2)27-15-13-26(14-16-27)23-31-20-17-25(18-21-31)19-22-32-30(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,25,30H,1,17-23H2,2H3.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine has a molecular weight of 425.62 g/mol, XLogP of 7.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(4-prop-1-en-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 10432552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).