1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol

C14H21FN2O — CID 39355997

IUPAC1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-16-11-14(18)6-8-17(9-7-14)10-12-4-2-3-5-13(12)15/h2-5,16,18H,6-11H2,1H3
InChIKeyZEMGFOHOLZIIOB-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.37
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol

1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 39355997) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID39355997
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C14H21FN2O/c1-16-11-14(18)6-8-17(9-7-14)10-12-4-2-3-5-13(12)15/h2-5,16,18H,6-11H2,1H3
InChIKeyZEMGFOHOLZIIOB-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
CID 82114659
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 112652864

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol (CID 39355997) is 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is ZEMGFOHOLZIIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-11-14(18)6-8-17(9-7-14)10-12-4-2-3-5-13(12)15/h2-5,16,18H,6-11H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 252.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 39355997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).