4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid

C15H21NO4 — CID 106821207

IUPAC4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(OCCCO)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21NO4/c17-11-4-12-20-15(14(18)19)7-9-16(10-8-15)13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2,(H,18,19)
InChIKeyZZBFUOAUOFVRPE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds6

About 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid

4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid (PubChem CID 106821207) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid
PubChem CID106821207
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(OCCCO)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21NO4/c17-11-4-12-20-15(14(18)19)7-9-16(10-8-15)13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2,(H,18,19)
InChIKeyZZBFUOAUOFVRPE-UHFFFAOYSA-N
XLogP1.51
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
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-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56891308
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
2,2,2-trichloroethyl 4-phenylpiperazine-1-carboxylate
CID 101452211
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
2-methyl-4-phenacyloxy-1-phenylpiperidine-4-carboxylic acid
CID 174658870

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid (CID 106821207) is 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid is O=C(O)C1(OCCCO)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid?
The InChIKey is ZZBFUOAUOFVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-11-4-12-20-15(14(18)19)7-9-16(10-8-15)13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2,(H,18,19).
What are the key properties of 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid?
4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropoxy)-1-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106821207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).