(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine

C23H29NO — CID 129386848

IUPAC(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine
SMILESc1ccc(OC[C@H]2CCCN(CC3(c4ccccc4)CCC3)C2)cc1
InChIInChI=1S/C23H29NO/c1-3-10-21(11-4-1)23(14-8-15-23)19-24-16-7-9-20(17-24)18-25-22-12-5-2-6-13-22/h1-6,10-13,20H,7-9,14-19H2/t20-/m0/s1
InChIKeyUVVUONVLAXNWHL-FQEVSTJZSA-N
MW335.49 g/mol
LogP4.90
Rot. Bonds6

About (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine

(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine (PubChem CID 129386848) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine
PubChem CID129386848
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine
SMILESc1ccc(OC[C@H]2CCCN(CC3(c4ccccc4)CCC3)C2)cc1
InChIInChI=1S/C23H29NO/c1-3-10-21(11-4-1)23(14-8-15-23)19-24-16-7-9-20(17-24)18-25-22-12-5-2-6-13-22/h1-6,10-13,20H,7-9,14-19H2/t20-/m0/s1
InChIKeyUVVUONVLAXNWHL-FQEVSTJZSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine
CID 58998520
tris(1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine);[1-(4-chlorophenyl)cyclobutyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 161196249
(3S)-3-(1,3-benzodioxol-5-yloxymethyl)-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine
CID 58737554
1-ethyl-4-methylbenzene;3-[(4-methoxyphenoxy)methyl]-1-[(1-phenylcyclobutyl)methyl]piperidine;3-[(4-methoxyphenoxy)methyl]piperidine;1-phenylcyclobutane-1-carbaldehyde
CID 159115518
CID 158738286
CID 158738286
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
4-fluoro-3-[[3-(phenoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86972233
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86972245
cyclohexylmethoxybenzene
CID 14399287
1-[(2-fluoro-6-nitrophenyl)methyl]-3-(phenoxymethyl)piperidine
CID 86972286
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
CID 58737652

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine?
The IUPAC name of (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine (CID 129386848) is (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine.
What is the SMILES notation for (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine?
The canonical SMILES for (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine is c1ccc(OC[C@H]2CCCN(CC3(c4ccccc4)CCC3)C2)cc1.
What is the InChIKey of (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine?
The InChIKey is UVVUONVLAXNWHL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-10-21(11-4-1)23(14-8-15-23)19-24-16-7-9-20(17-24)18-25-22-12-5-2-6-13-22/h1-6,10-13,20H,7-9,14-19H2/t20-/m0/s1.
What are the key properties of (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine?
(3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine has a molecular weight of 335.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(phenoxymethyl)-1-[(1-phenylcyclobutyl)methyl]piperidine is sourced from PubChem (CID 129386848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).