4-[4-(2-methylpiperidin-1-yl)butyl]phenol

C16H25NO — CID 82187998

IUPAC4-[4-(2-methylpiperidin-1-yl)butyl]phenol
SMILESCC1CCCCN1CCCCc1ccc(O)cc1
InChIInChI=1S/C16H25NO/c1-14-6-2-4-12-17(14)13-5-3-7-15-8-10-16(18)11-9-15/h8-11,14,18H,2-7,12-13H2,1H3
InChIKeyYKBRIWSFPMSCHH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds5

About 4-[4-(2-methylpiperidin-1-yl)butyl]phenol

4-[4-(2-methylpiperidin-1-yl)butyl]phenol (PubChem CID 82187998) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[4-(2-methylpiperidin-1-yl)butyl]phenol.

Molecular Properties

Compound Name4-[4-(2-methylpiperidin-1-yl)butyl]phenol
PubChem CID82187998
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[4-(2-methylpiperidin-1-yl)butyl]phenol
SMILESCC1CCCCN1CCCCc1ccc(O)cc1
InChIInChI=1S/C16H25NO/c1-14-6-2-4-12-17(14)13-5-3-7-15-8-10-16(18)11-9-15/h8-11,14,18H,2-7,12-13H2,1H3
InChIKeyYKBRIWSFPMSCHH-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methylpiperidin-1-yl)propyl]phenol
CID 82187955
4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
CID 115341800
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 3835146
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
CID 3051498
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
2-methyl-1-pentylazepane
CID 134994557
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpiperidin-1-yl)butyl]phenol?
The IUPAC name of 4-[4-(2-methylpiperidin-1-yl)butyl]phenol (CID 82187998) is 4-[4-(2-methylpiperidin-1-yl)butyl]phenol.
What is the SMILES notation for 4-[4-(2-methylpiperidin-1-yl)butyl]phenol?
The canonical SMILES for 4-[4-(2-methylpiperidin-1-yl)butyl]phenol is CC1CCCCN1CCCCc1ccc(O)cc1.
What is the InChIKey of 4-[4-(2-methylpiperidin-1-yl)butyl]phenol?
The InChIKey is YKBRIWSFPMSCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-6-2-4-12-17(14)13-5-3-7-15-8-10-16(18)11-9-15/h8-11,14,18H,2-7,12-13H2,1H3.
What are the key properties of 4-[4-(2-methylpiperidin-1-yl)butyl]phenol?
4-[4-(2-methylpiperidin-1-yl)butyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpiperidin-1-yl)butyl]phenol is sourced from PubChem (CID 82187998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).