4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol

C14H21FN2O2 — CID 95472427

IUPAC4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
SMILESNCC1(O)CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2/c15-12-1-3-13(4-2-12)19-10-9-17-7-5-14(18,11-16)6-8-17/h1-4,18H,5-11,16H2
InChIKeyVDPKEIDFLXVDNO-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.99
Rot. Bonds5

About 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol

4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol (PubChem CID 95472427) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
PubChem CID95472427
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
SMILESNCC1(O)CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2/c15-12-1-3-13(4-2-12)19-10-9-17-7-5-14(18,11-16)6-8-17/h1-4,18H,5-11,16H2
InChIKeyVDPKEIDFLXVDNO-UHFFFAOYSA-N
XLogP0.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19794404
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[2-(4-fluorophenoxy)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300652
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
CID 121418729
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol (CID 95472427) is 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol is NCC1(O)CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol?
The InChIKey is VDPKEIDFLXVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c15-12-1-3-13(4-2-12)19-10-9-17-7-5-14(18,11-16)6-8-17/h1-4,18H,5-11,16H2.
What are the key properties of 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol?
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol has a molecular weight of 268.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol is sourced from PubChem (CID 95472427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).