4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine

C31H33NO — CID 101165281

IUPAC4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C31H33NO/c1-3-11-27(12-4-1)31(28-13-5-2-6-14-28)33-23-20-25-18-21-32(22-19-25)24-29-16-9-15-26-10-7-8-17-30(26)29/h1-17,25,31H,18-24H2
InChIKeyCYWLBNYFLMTVDS-UHFFFAOYSA-N
MW435.61 g/mol
LogP7.25
Rot. Bonds8

About 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine

4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine (PubChem CID 101165281) has the molecular formula C31H33NO and a molecular weight of 435.61 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
PubChem CID101165281
Molecular FormulaC31H33NO
Molecular Weight435.61 g/mol
Exact Mass435.26
IUPAC Name4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C31H33NO/c1-3-11-27(12-4-1)31(28-13-5-2-6-14-28)33-23-20-25-18-21-32(22-19-25)24-29-16-9-15-26-10-7-8-17-30(26)29/h1-17,25,31H,18-24H2
InChIKeyCYWLBNYFLMTVDS-UHFFFAOYSA-N
XLogP7.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529534
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine (CID 101165281) is 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine is c1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine?
The InChIKey is CYWLBNYFLMTVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO/c1-3-11-27(12-4-1)31(28-13-5-2-6-14-28)33-23-20-25-18-21-32(22-19-25)24-29-16-9-15-26-10-7-8-17-30(26)29/h1-17,25,31H,18-24H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine?
4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine has a molecular weight of 435.61 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine is sourced from PubChem (CID 101165281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).