4-benzhydryloxy-1-propan-2-ylpiperidine

C21H27NO — CID 59898734

IUPAC4-benzhydryloxy-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-17(2)22-15-13-20(14-16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3
InChIKeyHIXJLPCFKAAFCB-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.67
Rot. Bonds5

About 4-benzhydryloxy-1-propan-2-ylpiperidine

4-benzhydryloxy-1-propan-2-ylpiperidine (PubChem CID 59898734) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-benzhydryloxy-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-benzhydryloxy-1-propan-2-ylpiperidine
PubChem CID59898734
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-benzhydryloxy-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-17(2)22-15-13-20(14-16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3
InChIKeyHIXJLPCFKAAFCB-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
CID 3025364
4-[(4-tert-butylphenyl)-phenylmethoxy]-1-methylpiperidine
CID 19874379
4-benzhydryloxythiane
CID 826489
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
(1S,5R)-3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 118984390
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
CID 67830997
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
CID 22989280
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
4-[(4-methylphenyl)-phenylmethoxy]piperidine
CID 10265745
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxy-1-propan-2-ylpiperidine?
The IUPAC name of 4-benzhydryloxy-1-propan-2-ylpiperidine (CID 59898734) is 4-benzhydryloxy-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-benzhydryloxy-1-propan-2-ylpiperidine?
The canonical SMILES for 4-benzhydryloxy-1-propan-2-ylpiperidine is CC(C)N1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryloxy-1-propan-2-ylpiperidine?
The InChIKey is HIXJLPCFKAAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(2)22-15-13-20(14-16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3.
What are the key properties of 4-benzhydryloxy-1-propan-2-ylpiperidine?
4-benzhydryloxy-1-propan-2-ylpiperidine has a molecular weight of 309.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxy-1-propan-2-ylpiperidine is sourced from PubChem (CID 59898734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).