[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride

C18H28ClNO2 — CID 174282200

IUPAC[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride
SMILESCCC(=O)Oc1ccc(CCCCC2CCNCC2)cc1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-2-18(20)21-17-9-7-15(8-10-17)5-3-4-6-16-11-13-19-14-12-16;/h7-10,16,19H,2-6,11-14H2,1H3;1H
InChIKeyWGWZYMNYLZXMDD-UHFFFAOYSA-N
MW325.88 g/mol
LogP4.14
Rot. Bonds7

About [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride

[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride (PubChem CID 174282200) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride.

Molecular Properties

Compound Name[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride
PubChem CID174282200
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride
SMILESCCC(=O)Oc1ccc(CCCCC2CCNCC2)cc1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-2-18(20)21-17-9-7-15(8-10-17)5-3-4-6-16-11-13-19-14-12-16;/h7-10,16,19H,2-6,11-14H2,1H3;1H
InChIKeyWGWZYMNYLZXMDD-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
(4-fluorophenyl) 3-piperidin-4-ylpropanoate
CID 117125845
[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl] acetate
CID 54119401
4-[4-(4-methylsulfonylphenyl)butyl]piperidine;2,2,2-trifluoroacetic acid
CID 158150885
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914
(4-propanoyloxyphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23334826
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
[4-(trifluoromethoxy)phenyl] 4-[4-(4-pentylcyclohexyl)butyl]benzoate
CID 54180213
[4-[2-(4-cyanophenyl)ethyl]phenyl] 4-pentylcyclohexane-1-carboxylate
CID 70404440
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538

Frequently Asked Questions

What is the IUPAC name of [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride?
The IUPAC name of [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride (CID 174282200) is [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride.
What is the SMILES notation for [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride?
The canonical SMILES for [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride is CCC(=O)Oc1ccc(CCCCC2CCNCC2)cc1.Cl.
What is the InChIKey of [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride?
The InChIKey is WGWZYMNYLZXMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-2-18(20)21-17-9-7-15(8-10-17)5-3-4-6-16-11-13-19-14-12-16;/h7-10,16,19H,2-6,11-14H2,1H3;1H.
What are the key properties of [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride?
[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride is sourced from PubChem (CID 174282200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).