1-(2-benzhydryloxyethyl)-4-benzylpiperidine

C27H31NO — CID 127026610

IUPAC1-(2-benzhydryloxyethyl)-4-benzylpiperidine
SMILESc1ccc(CC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-4-10-23(11-5-1)22-24-16-18-28(19-17-24)20-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
InChIKeyQMHXSIDSHIUBER-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.75
Rot. Bonds8

About 1-(2-benzhydryloxyethyl)-4-benzylpiperidine

1-(2-benzhydryloxyethyl)-4-benzylpiperidine (PubChem CID 127026610) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-benzylpiperidine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-benzylpiperidine
PubChem CID127026610
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name1-(2-benzhydryloxyethyl)-4-benzylpiperidine
SMILESc1ccc(CC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-4-10-23(11-5-1)22-24-16-18-28(19-17-24)20-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
InChIKeyQMHXSIDSHIUBER-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253
1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
CID 131880421
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
CID 54215740
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10507287

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-benzylpiperidine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-benzylpiperidine (CID 127026610) is 1-(2-benzhydryloxyethyl)-4-benzylpiperidine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-benzylpiperidine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-benzylpiperidine is c1ccc(CC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-benzylpiperidine?
The InChIKey is QMHXSIDSHIUBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-4-10-23(11-5-1)22-24-16-18-28(19-17-24)20-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-benzylpiperidine?
1-(2-benzhydryloxyethyl)-4-benzylpiperidine has a molecular weight of 385.55 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-benzylpiperidine is sourced from PubChem (CID 127026610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).