(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride

C16H24ClNO3 — CID 67723520

IUPAC(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCCCOc2ccccc2)C1
InChIInChI=1S/C16H23NO3.ClH/c18-16(19)14-7-6-11-17(13-14)10-4-5-12-20-15-8-2-1-3-9-15;/h1-3,8-9,14H,4-7,10-13H2,(H,18,19);1H/t14-;/m1./s1
InChIKeyRYMPQNFHLUARKH-PFEQFJNWSA-N
MW313.82 g/mol
LogP3.06
Rot. Bonds7

About (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride

(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 67723520) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID67723520
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCCCOc2ccccc2)C1
InChIInChI=1S/C16H23NO3.ClH/c18-16(19)14-7-6-11-17(13-14)10-4-5-12-20-15-8-2-1-3-9-15;/h1-3,8-9,14H,4-7,10-13H2,(H,18,19);1H/t14-;/m1./s1
InChIKeyRYMPQNFHLUARKH-PFEQFJNWSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.06
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

(3S)-1-[3-(3,5-dimethylphenoxy)propyl]piperidine-3-carboxylic acid
CID 93048534
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026
(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073
(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
(3R)-1-[2-[2-[2-(N-phenylanilino)ethoxy]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265298
(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride (CID 67723520) is (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN(CCCCOc2ccccc2)C1.
What is the InChIKey of (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is RYMPQNFHLUARKH-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c18-16(19)14-7-6-11-17(13-14)10-4-5-12-20-15-8-2-1-3-9-15;/h1-3,8-9,14H,4-7,10-13H2,(H,18,19);1H/t14-;/m1./s1.
What are the key properties of (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride?
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67723520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).