1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride

C15H27Cl2FN2O2 — CID 21472470

IUPAC1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
SMILESCC1(N)CCN(CCCOc2ccc(F)cc2)CC1.Cl.Cl.O
InChIInChI=1S/C15H23FN2O.2ClH.H2O/c1-15(17)7-10-18(11-8-15)9-2-12-19-14-5-3-13(16)4-6-14;;;/h3-6H,2,7-12,17H2,1H3;2*1H;1H2
InChIKeyGMFJOFCZKBHVDJ-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.43
Rot. Bonds5

About 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride

1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride (PubChem CID 21472470) has the molecular formula C15H27Cl2FN2O2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
PubChem CID21472470
Molecular FormulaC15H27Cl2FN2O2
Molecular Weight357.30 g/mol
Exact Mass356.14
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
SMILESCC1(N)CCN(CCCOc2ccc(F)cc2)CC1.Cl.Cl.O
InChIInChI=1S/C15H23FN2O.2ClH.H2O/c1-15(17)7-10-18(11-8-15)9-2-12-19-14-5-3-13(16)4-6-14;;;/h3-6H,2,7-12,17H2,1H3;2*1H;1H2
InChIKeyGMFJOFCZKBHVDJ-UHFFFAOYSA-N
XLogP2.43
TPSA69.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19794404
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide
CID 10364537
N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
CID 12050260
1-fluoro-4-nitrobenzene;1-[3-(4-nitrophenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 159007183

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride (CID 21472470) is 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride is CC1(N)CCN(CCCOc2ccc(F)cc2)CC1.Cl.Cl.O.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride?
The InChIKey is GMFJOFCZKBHVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.2ClH.H2O/c1-15(17)7-10-18(11-8-15)9-2-12-19-14-5-3-13(16)4-6-14;;;/h3-6H,2,7-12,17H2,1H3;2*1H;1H2.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride?
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride has a molecular weight of 357.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride is sourced from PubChem (CID 21472470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).