1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol

C14H21FN2O — CID 39355999

IUPAC1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-16-11-14(18)5-7-17(8-6-14)10-12-3-2-4-13(15)9-12/h2-4,9,16,18H,5-8,10-11H2,1H3
InChIKeyIIQGCKQMXLSCGV-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.37
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol

1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 39355999) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID39355999
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-16-11-14(18)5-7-17(8-6-14)10-12-3-2-4-13(15)9-12/h2-4,9,16,18H,5-8,10-11H2,1H3
InChIKeyIIQGCKQMXLSCGV-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-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzyl-4-hydroxypiperidine-4-carbonitrile
CID 80189
4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
1-(Benzylamino)-2-methylpropan-2-ol
CID 12896476
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 23641142
1-(4-Fluoro-2-methylbenzyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70770593
4-[[[4-Fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol
CID 84590178
4-((2-Fluorophenyl)methyl)-1-piperazineethanol
CID 2795688
1-Benzyl-3-methylpiperidin-3-ol
CID 15283107
1-[[3-(2-Aminoethyl)phenyl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70716254
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol (CID 39355999) is 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is IIQGCKQMXLSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-11-14(18)5-7-17(8-6-14)10-12-3-2-4-13(15)9-12/h2-4,9,16,18H,5-8,10-11H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[(3-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-[(3-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 39355999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).