1-[4-(2-propylhexoxy)phenyl]piperidine

C20H33NO — CID 18724549

IUPAC1-[4-(2-propylhexoxy)phenyl]piperidine
SMILESCCCCC(CCC)COc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H33NO/c1-3-5-10-18(9-4-2)17-22-20-13-11-19(12-14-20)21-15-7-6-8-16-21/h11-14,18H,3-10,15-17H2,1-2H3
InChIKeyRZDVHRDGYYUJLQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.66
Rot. Bonds9

About 1-[4-(2-propylhexoxy)phenyl]piperidine

1-[4-(2-propylhexoxy)phenyl]piperidine (PubChem CID 18724549) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[4-(2-propylhexoxy)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(2-propylhexoxy)phenyl]piperidine
PubChem CID18724549
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[4-(2-propylhexoxy)phenyl]piperidine
SMILESCCCCC(CCC)COc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H33NO/c1-3-5-10-18(9-4-2)17-22-20-13-11-19(12-14-20)21-15-7-6-8-16-21/h11-14,18H,3-10,15-17H2,1-2H3
InChIKeyRZDVHRDGYYUJLQ-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[4-(2-ethylhexoxy)phenyl]sulfonylpiperazin-1-yl]phenyl]iminoazanium
CID 20746861
1-[(2R)-2-butyloctoxy]-4-[4-[4-[4-[(2S)-2-butyloctoxy]phenyl]phenyl]phenyl]benzene
CID 97290699
[4-[4-[4-(2-ethylhexoxy)phenyl]sulfonylpiperazin-1-yl]phenyl]diazene
CID 20746862
4-(4-butoxyphenyl)thiomorpholine
CID 69160292
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
1-[3-(2-ethylhexoxy)phenyl]piperazine
CID 63459959
9-[4-(2-butyloctoxy)phenyl]-3,6-difluorocarbazole
CID 102281660
1-(4-methoxyphenyl)piperidine
CID 10130315
(4-butoxyphenyl)-[4-[4-[4-[(4-butoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 139387004
2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-5-[3-[4-(2-ethylbutoxy)phenyl]-5-[4-(2-ethylhexoxy)phenyl]phenyl]phenyl]-7-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-5-[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(2-ethylpentoxy)phenyl]phenyl]phenyl]-9H-fluorene
CID 88938245
2-(4-butoxyphenyl)-5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole;N-methylmethanamine
CID 143081329
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propylhexoxy)phenyl]piperidine?
The IUPAC name of 1-[4-(2-propylhexoxy)phenyl]piperidine (CID 18724549) is 1-[4-(2-propylhexoxy)phenyl]piperidine.
What is the SMILES notation for 1-[4-(2-propylhexoxy)phenyl]piperidine?
The canonical SMILES for 1-[4-(2-propylhexoxy)phenyl]piperidine is CCCCC(CCC)COc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-propylhexoxy)phenyl]piperidine?
The InChIKey is RZDVHRDGYYUJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-5-10-18(9-4-2)17-22-20-13-11-19(12-14-20)21-15-7-6-8-16-21/h11-14,18H,3-10,15-17H2,1-2H3.
What are the key properties of 1-[4-(2-propylhexoxy)phenyl]piperidine?
1-[4-(2-propylhexoxy)phenyl]piperidine has a molecular weight of 303.49 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propylhexoxy)phenyl]piperidine is sourced from PubChem (CID 18724549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).