(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine

C26H29NO — CID 131846441

IUPAC(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC[C@@H](OC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C26H29NO/c1-4-11-22(12-5-1)18-20-27-19-10-17-25(21-27)28-26(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-26H,10,17-21H2/t25-/m1/s1
InChIKeyBVPATNQALDDECL-RUZDIDTESA-N
MW371.52 g/mol
LogP5.50
Rot. Bonds7

About (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine

(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine (PubChem CID 131846441) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine
PubChem CID131846441
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC[C@@H](OC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C26H29NO/c1-4-11-22(12-5-1)18-20-27-19-10-17-25(21-27)28-26(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-26H,10,17-21H2/t25-/m1/s1
InChIKeyBVPATNQALDDECL-RUZDIDTESA-N
XLogP5.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol
CID 57265561
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
CID 3025364
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
CID 124526306
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline
CID 22363113
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine?
The IUPAC name of (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine (CID 131846441) is (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine.
What is the SMILES notation for (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine?
The canonical SMILES for (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine is c1ccc(CCN2CCC[C@@H](OC(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine?
The InChIKey is BVPATNQALDDECL-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29NO/c1-4-11-22(12-5-1)18-20-27-19-10-17-25(21-27)28-26(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-26H,10,17-21H2/t25-/m1/s1.
What are the key properties of (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine?
(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine has a molecular weight of 371.52 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 131846441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).