6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol

C20H33NO2 — CID 19862704

IUPAC6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol
SMILESOCCCCCCOCCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H33NO2/c22-16-6-1-2-7-17-23-18-8-9-19-10-12-20(13-11-19)21-14-4-3-5-15-21/h10-13,22H,1-9,14-18H2
InChIKeyMBDSQPCVSRYQCT-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.18
Rot. Bonds11

About 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol

6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol (PubChem CID 19862704) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol
PubChem CID19862704
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol
SMILESOCCCCCCOCCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H33NO2/c22-16-6-1-2-7-17-23-18-8-9-19-10-12-20(13-11-19)21-14-4-3-5-15-21/h10-13,22H,1-9,14-18H2
InChIKeyMBDSQPCVSRYQCT-UHFFFAOYSA-N
XLogP4.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(4-bromobutoxy)propyl]phenyl]pyrrolidine
CID 19862698
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
CID 69086607
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
1-(4-pentylphenyl)pyrrolidine
CID 168512151
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
CID 112518014
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366
2-[6-(4-chlorophenyl)hexoxy]ethanol
CID 54545244
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol?
The IUPAC name of 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol (CID 19862704) is 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol.
What is the SMILES notation for 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol?
The canonical SMILES for 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol is OCCCCCCOCCCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol?
The InChIKey is MBDSQPCVSRYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c22-16-6-1-2-7-17-23-18-8-9-19-10-12-20(13-11-19)21-14-4-3-5-15-21/h10-13,22H,1-9,14-18H2.
What are the key properties of 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol?
6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol is sourced from PubChem (CID 19862704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).