3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol

C14H22N2O — CID 105495145

IUPAC3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
SMILESCNC(c1cccc(O)c1)C1CCCN(C)C1
InChIInChI=1S/C14H22N2O/c1-15-14(11-5-3-7-13(17)9-11)12-6-4-8-16(2)10-12/h3,5,7,9,12,14-15,17H,4,6,8,10H2,1-2H3
InChIKeyFHOBTAZBARZCHZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.99
Rot. Bonds3

About 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol

3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol (PubChem CID 105495145) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
PubChem CID105495145
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
SMILESCNC(c1cccc(O)c1)C1CCCN(C)C1
InChIInChI=1S/C14H22N2O/c1-15-14(11-5-3-7-13(17)9-11)12-6-4-8-16(2)10-12/h3,5,7,9,12,14-15,17H,4,6,8,10H2,1-2H3
InChIKeyFHOBTAZBARZCHZ-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
CID 116951993
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
CID 83855822
3-[cyclobutyl(methylamino)methyl]benzoic acid
CID 116953914
1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116952260
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
3-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040388
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol?
The IUPAC name of 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol (CID 105495145) is 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol?
The canonical SMILES for 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol is CNC(c1cccc(O)c1)C1CCCN(C)C1.
What is the InChIKey of 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol?
The InChIKey is FHOBTAZBARZCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14(11-5-3-7-13(17)9-11)12-6-4-8-16(2)10-12/h3,5,7,9,12,14-15,17H,4,6,8,10H2,1-2H3.
What are the key properties of 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol?
3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol is sourced from PubChem (CID 105495145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).