1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid

C19H28ClNO5 — CID 127038667

IUPAC1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid
SMILESCC1CCN(CCCCCOc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO.C2H2O4/c1-15-9-12-19(13-10-15)11-3-2-4-14-20-17-7-5-16(18)6-8-17;3-1(4)2(5)6/h5-8,15H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyYEEYTIILCVHZQW-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.78
Rot. Bonds7

About 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid

1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid (PubChem CID 127038667) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid
PubChem CID127038667
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Name1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid
SMILESCC1CCN(CCCCCOc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO.C2H2O4/c1-15-9-12-19(13-10-15)11-3-2-4-14-20-17-7-5-16(18)6-8-17;3-1(4)2(5)6/h5-8,15H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyYEEYTIILCVHZQW-UHFFFAOYSA-N
XLogP3.78
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-Chlorophenoxy)pentyl]piperidine
CID 2843471
(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2928132
1-[4-(4-Chlorophenoxy)-2-butyn-1-yl]pyrrolidine oxalate
CID 2961328
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620
1-[4-(4-Methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24761392
1-[4-(4-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986840
N-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986854
N-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986865
N,N-di-n-propyl-4-[5-chloro-2-(2-phenylethoxy)phenyl]butylamine oxalate
CID 18986873
1-[3-(4-Chlorophenoxy)propyl]-4-methylpiperidine;hydrochloride
CID 45264579
4-[2-(3-Chlorophenoxy)ethyl]morpholine ethanedioate
CID 644755

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid?
The IUPAC name of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid (CID 127038667) is 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid?
The canonical SMILES for 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid is CC1CCN(CCCCCOc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid?
The InChIKey is YEEYTIILCVHZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO.C2H2O4/c1-15-9-12-19(13-10-15)11-3-2-4-14-20-17-7-5-16(18)6-8-17;3-1(4)2(5)6/h5-8,15H,2-4,9-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid?
1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid has a molecular weight of 385.89 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine;oxalic acid is sourced from PubChem (CID 127038667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).