(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate

C19H29NO3 — CID 167315335

IUPAC(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate
SMILESCCCCCCC(O)C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C19H29NO3/c1-2-3-4-8-11-17(21)18(22)23-19(12-14-20-15-13-19)16-9-6-5-7-10-16/h5-7,9-10,17,20-21H,2-4,8,11-15H2,1H3
InChIKeyVHPSRCQAXPTHHZ-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.14
Rot. Bonds8

About (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate

(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate (PubChem CID 167315335) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate
PubChem CID167315335
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate
SMILESCCCCCCC(O)C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C19H29NO3/c1-2-3-4-8-11-17(21)18(22)23-19(12-14-20-15-13-19)16-9-6-5-7-10-16/h5-7,9-10,17,20-21H,2-4,8,11-15H2,1H3
InChIKeyVHPSRCQAXPTHHZ-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
(4-phenylpiperidin-4-yl) 2,3-dichloropropanoate
CID 167315272
(4-phenylpiperidin-4-yl) 7-bromoheptanoate
CID 167314725
benzyl 2-hydroxydecanoate
CID 139390218
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
[4-[3-[4-[1-oxo-3-phenyl-1-(4-phenylpiperidin-4-yl)oxypropan-2-yl]phenyl]phenyl]piperidin-4-yl] 4-(4-hexylphenyl)benzoate
CID 170256727
(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
CID 167315887
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-[4-[2-(2-hexyldecanoyloxy)ethyl]piperidin-4-yl]ethyl 2-hexyldecanoate
CID 167523575

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate (CID 167315335) is (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate is CCCCCCC(O)C(=O)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate?
The InChIKey is VHPSRCQAXPTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-2-3-4-8-11-17(21)18(22)23-19(12-14-20-15-13-19)16-9-6-5-7-10-16/h5-7,9-10,17,20-21H,2-4,8,11-15H2,1H3.
What are the key properties of (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate?
(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate has a molecular weight of 319.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-hydroxyoctanoate is sourced from PubChem (CID 167315335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).