[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol

C18H29NO2 — CID 142203164

IUPAC[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol
SMILESCCc1cccc(OCCCCN2CCC(CO)CC2)c1
InChIInChI=1S/C18H29NO2/c1-2-16-6-5-7-18(14-16)21-13-4-3-10-19-11-8-17(15-20)9-12-19/h5-7,14,17,20H,2-4,8-13,15H2,1H3
InChIKeyJGEOBFDKWUYGIC-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.11
Rot. Bonds8

About [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol

[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol (PubChem CID 142203164) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol
PubChem CID142203164
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol
SMILESCCc1cccc(OCCCCN2CCC(CO)CC2)c1
InChIInChI=1S/C18H29NO2/c1-2-16-6-5-7-18(14-16)21-13-4-3-10-19-11-8-17(15-20)9-12-19/h5-7,14,17,20H,2-4,8-13,15H2,1H3
InChIKeyJGEOBFDKWUYGIC-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.11
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-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol (CID 142203164) is [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol is CCc1cccc(OCCCCN2CCC(CO)CC2)c1.
What is the InChIKey of [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol?
The InChIKey is JGEOBFDKWUYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-16-6-5-7-18(14-16)21-13-4-3-10-19-11-8-17(15-20)9-12-19/h5-7,14,17,20H,2-4,8-13,15H2,1H3.
What are the key properties of [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol?
[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol has a molecular weight of 291.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol is sourced from PubChem (CID 142203164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).