2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine

C22H29NO — CID 21421702

IUPAC2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
SMILESCC1(C)CC(c2ccc(OCc3ccccc3)cc2)CC(C)(C)N1
InChIInChI=1S/C22H29NO/c1-21(2)14-19(15-22(3,4)23-21)18-10-12-20(13-11-18)24-16-17-8-6-5-7-9-17/h5-13,19,23H,14-16H2,1-4H3
InChIKeyXRFFRFNOTJZDIB-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.29
Rot. Bonds4

About 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine

2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine (PubChem CID 21421702) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
PubChem CID21421702
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
SMILESCC1(C)CC(c2ccc(OCc3ccccc3)cc2)CC(C)(C)N1
InChIInChI=1S/C22H29NO/c1-21(2)14-19(15-22(3,4)23-21)18-10-12-20(13-11-18)24-16-17-8-6-5-7-9-17/h5-13,19,23H,14-16H2,1-4H3
InChIKeyXRFFRFNOTJZDIB-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
ethane;3-(4-phenylmethoxyphenyl)boretane-1-carbonitrile
CID 176955271
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol
CID 129362083
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine (CID 21421702) is 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine is CC1(C)CC(c2ccc(OCc3ccccc3)cc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine?
The InChIKey is XRFFRFNOTJZDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-21(2)14-19(15-22(3,4)23-21)18-10-12-20(13-11-18)24-16-17-8-6-5-7-9-17/h5-13,19,23H,14-16H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine?
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine has a molecular weight of 323.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine is sourced from PubChem (CID 21421702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).