4-(4-propoxyphenyl)-1-propylpiperidin-4-ol

C17H27NO2 — CID 62795398

IUPAC4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
SMILESCCCOc1ccc(C2(O)CCN(CCC)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-11-18-12-9-17(19,10-13-18)15-5-7-16(8-6-15)20-14-4-2/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyBMIIIXJSTVJUGW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds6

About 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol

4-(4-propoxyphenyl)-1-propylpiperidin-4-ol (PubChem CID 62795398) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
PubChem CID62795398
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
SMILESCCCOc1ccc(C2(O)CCN(CCC)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-11-18-12-9-17(19,10-13-18)15-5-7-16(8-6-15)20-14-4-2/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyBMIIIXJSTVJUGW-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 64734777
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
CID 159080609
3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol
CID 80561531
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-(5-methyl-3-pyridinyl)-1-propylpiperidin-4-ol
CID 113296961
4-ethoxy-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965108

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol?
The IUPAC name of 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol (CID 62795398) is 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol?
The canonical SMILES for 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol is CCCOc1ccc(C2(O)CCN(CCC)CC2)cc1.
What is the InChIKey of 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol?
The InChIKey is BMIIIXJSTVJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-11-18-12-9-17(19,10-13-18)15-5-7-16(8-6-15)20-14-4-2/h5-8,19H,3-4,9-14H2,1-2H3.
What are the key properties of 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol?
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenyl)-1-propylpiperidin-4-ol is sourced from PubChem (CID 62795398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).