1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine

C22H37NO — CID 166938631

IUPAC1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
SMILESCCCc1ccc(OCCC2CCN(CCCC(C)C)CC2)cc1
InChIInChI=1S/C22H37NO/c1-4-6-20-8-10-22(11-9-20)24-18-14-21-12-16-23(17-13-21)15-5-7-19(2)3/h8-11,19,21H,4-7,12-18H2,1-3H3
InChIKeyGVCDRTTVDMCUHU-UHFFFAOYSA-N
MW331.54 g/mol
LogP5.56
Rot. Bonds10

About 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine

1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine (PubChem CID 166938631) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
PubChem CID166938631
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
SMILESCCCc1ccc(OCCC2CCN(CCCC(C)C)CC2)cc1
InChIInChI=1S/C22H37NO/c1-4-6-20-8-10-22(11-9-20)24-18-14-21-12-16-23(17-13-21)15-5-7-19(2)3/h8-11,19,21H,4-7,12-18H2,1-3H3
InChIKeyGVCDRTTVDMCUHU-UHFFFAOYSA-N
XLogP5.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
CID 146312573
4-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-1-pentylpiperidine
CID 167068129
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 67834138
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine
CID 156817368
4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
CID 54424720
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine?
The IUPAC name of 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine (CID 166938631) is 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine is CCCc1ccc(OCCC2CCN(CCCC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine?
The InChIKey is GVCDRTTVDMCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-4-6-20-8-10-22(11-9-20)24-18-14-21-12-16-23(17-13-21)15-5-7-19(2)3/h8-11,19,21H,4-7,12-18H2,1-3H3.
What are the key properties of 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine?
1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine has a molecular weight of 331.54 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine is sourced from PubChem (CID 166938631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).