1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine

C21H33NO2 — CID 23402952

IUPAC1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C21H33NO2/c1-16(24-22-20(2,3)13-6-14-21(22,4)5)18-9-11-19(12-10-18)23-15-17-7-8-17/h9-12,16-17H,6-8,13-15H2,1-5H3
InChIKeyVROMFUPESXYRKQ-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.51
Rot. Bonds6

About 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine

1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 23402952) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID23402952
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C21H33NO2/c1-16(24-22-20(2,3)13-6-14-21(22,4)5)18-9-11-19(12-10-18)23-15-17-7-8-17/h9-12,16-17H,6-8,13-15H2,1-5H3
InChIKeyVROMFUPESXYRKQ-UHFFFAOYSA-N
XLogP5.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(p-tolyloxy)propan-1-amine
CID 24947378
3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dimethyl-3-phenoxypropan-1-amine
CID 24948317
1,5-Dioxa-9-azaspiro[5.5]undecane, 3,3,8,8,10,10-hexamethyl-9-[1-[4-(2-oxiranylmethoxy)phenyl]ethoxy]-
CID 21864018
1-[4-(1-Cyclopropylmethyl-piperidin-4-ylmethoxy)-phenyl]-ethanol
CID 10085583
1-[3-[4-(Oxan-2-yl)phenoxy]propyl]piperidine
CID 56681858
1-[6-(4-Ethylphenoxy)hexyl]-4-methylpiperidine
CID 155523500
cis-erythro-1-(2-(p,alpha-Dimethoxybenzyl)cyclohexyl)piperidine
CID 31727
Piperidine, 1-(2-(p,alpha-dimethoxybenzyl)cyclohexyl)-, hydrochloride, methanol, cis-threo-
CID 203057
Piperidine, 1-(2-(p,alpha-dimethoxybenzyl)cyclohexyl)-, trans-erythro-
CID 203059
cis-erythro-(+)-1-(2-(p,alpha-Dimethoxybenzyl)cyclohexyl)piperidine hydrochloride
CID 212370
(3S,4R)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-1-(oxan-4-yl)piperidine
CID 97422535

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine (CID 23402952) is 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine is CC(ON1C(C)(C)CCCC1(C)C)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is VROMFUPESXYRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-16(24-22-20(2,3)13-6-14-21(22,4)5)18-9-11-19(12-10-18)23-15-17-7-8-17/h9-12,16-17H,6-8,13-15H2,1-5H3.
What are the key properties of 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 331.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(cyclopropylmethoxy)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 23402952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).