4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol

C17H28N2O — CID 63249276

IUPAC4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
SMILESCNCC1CCCCN1C(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-14(6-7-15-8-10-17(20)11-9-15)19-12-4-3-5-16(19)13-18-2/h8-11,14,16,18,20H,3-7,12-13H2,1-2H3
InChIKeyVATPGHWQXQDWHD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.79
Rot. Bonds6

About 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol

4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol (PubChem CID 63249276) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol.

Molecular Properties

Compound Name4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
PubChem CID63249276
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
SMILESCNCC1CCCCN1C(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-14(6-7-15-8-10-17(20)11-9-15)19-12-4-3-5-16(19)13-18-2/h8-11,14,16,18,20H,3-7,12-13H2,1-2H3
InChIKeyVATPGHWQXQDWHD-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 63249483
4-[2-(2-ethylazepan-1-yl)propyl]phenol
CID 104693189
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062576
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
4-[3-(3-ethylmorpholin-4-yl)butyl]phenol
CID 82976699
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
CID 65066557
4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
CID 82976975
N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249992
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol?
The IUPAC name of 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol (CID 63249276) is 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol.
What is the SMILES notation for 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol?
The canonical SMILES for 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol is CNCC1CCCCN1C(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol?
The InChIKey is VATPGHWQXQDWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(6-7-15-8-10-17(20)11-9-15)19-12-4-3-5-16(19)13-18-2/h8-11,14,16,18,20H,3-7,12-13H2,1-2H3.
What are the key properties of 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol?
4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol is sourced from PubChem (CID 63249276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).