1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol

C16H25NO2 — CID 39363366

IUPAC1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
SMILESCCc1ccccc1OCCCN1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-2-14-6-3-4-7-16(14)19-13-5-10-17-11-8-15(18)9-12-17/h3-4,6-7,15,18H,2,5,8-13H2,1H3
InChIKeyRDQHVRAVJBMHMG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds6

About 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol

1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol (PubChem CID 39363366) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
PubChem CID39363366
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
SMILESCCc1ccccc1OCCCN1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-2-14-6-3-4-7-16(14)19-13-5-10-17-11-8-15(18)9-12-17/h3-4,6-7,15,18H,2,5,8-13H2,1H3
InChIKeyRDQHVRAVJBMHMG-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
(3S,4S)-1-[2-(2-ethylphenoxy)ethyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135099672
(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809274
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
1-[[2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]methyl]azetidin-3-ol
CID 99933820

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol (CID 39363366) is 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol is CCc1ccccc1OCCCN1CCC(O)CC1.
What is the InChIKey of 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol?
The InChIKey is RDQHVRAVJBMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-14-6-3-4-7-16(14)19-13-5-10-17-11-8-15(18)9-12-17/h3-4,6-7,15,18H,2,5,8-13H2,1H3.
What are the key properties of 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol?
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol is sourced from PubChem (CID 39363366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).