1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine

C24H33NO — CID 173305671

IUPAC1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)C(Cc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C24H33NO/c1-20(2)24(19-21-9-5-3-6-10-21)22-11-13-23(14-12-22)26-18-17-25-15-7-4-8-16-25/h3,5-6,9-14,20,24H,4,7-8,15-19H2,1-2H3
InChIKeyQNIONJVQIMDWPK-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.53
Rot. Bonds8

About 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine

1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine (PubChem CID 173305671) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine
PubChem CID173305671
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)C(Cc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C24H33NO/c1-20(2)24(19-21-9-5-3-6-10-21)22-11-13-23(14-12-22)26-18-17-25-15-7-4-8-16-25/h3,5-6,9-14,20,24H,4,7-8,15-19H2,1-2H3
InChIKeyQNIONJVQIMDWPK-UHFFFAOYSA-N
XLogP5.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
CID 161147503
CID 161147503
1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
CID 21253259
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
1-[2-[4-[(S)-(1-benzylpyrrol-2-yl)-(4-methoxyphenyl)methyl]phenoxy]ethyl]azepane
CID 129388947
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]but-3-enyl]phenoxy]ethyl]piperidine
CID 24967267
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine (CID 173305671) is 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine is CC(C)C(Cc1ccccc1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine?
The InChIKey is QNIONJVQIMDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-20(2)24(19-21-9-5-3-6-10-21)22-11-13-23(14-12-22)26-18-17-25-15-7-4-8-16-25/h3,5-6,9-14,20,24H,4,7-8,15-19H2,1-2H3.
What are the key properties of 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine?
1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine has a molecular weight of 351.53 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyl-1-phenylbutan-2-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 173305671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).