1-(11-phenylundecyl)piperidine;hydrochloride

C22H38ClN — CID 173446957

IUPAC1-(11-phenylundecyl)piperidine;hydrochloride
SMILESCl.c1ccc(CCCCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C22H37N.ClH/c1(2-4-6-10-16-22-17-11-8-12-18-22)3-5-7-13-19-23-20-14-9-15-21-23;/h8,11-12,17-18H,1-7,9-10,13-16,19-21H2;1H
InChIKeyGQZBYOILKOKULL-UHFFFAOYSA-N
MW352.01 g/mol
LogP6.65
Rot. Bonds12

About 1-(11-phenylundecyl)piperidine;hydrochloride

1-(11-phenylundecyl)piperidine;hydrochloride (PubChem CID 173446957) has the molecular formula C22H38ClN and a molecular weight of 352.01 g/mol. Its IUPAC name is 1-(11-phenylundecyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(11-phenylundecyl)piperidine;hydrochloride
PubChem CID173446957
Molecular FormulaC22H38ClN
Molecular Weight352.01 g/mol
Exact Mass351.27
IUPAC Name1-(11-phenylundecyl)piperidine;hydrochloride
SMILESCl.c1ccc(CCCCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C22H37N.ClH/c1(2-4-6-10-16-22-17-11-8-12-18-22)3-5-7-13-19-23-20-14-9-15-21-23;/h8,11-12,17-18H,1-7,9-10,13-16,19-21H2;1H
InChIKeyGQZBYOILKOKULL-UHFFFAOYSA-N
XLogP6.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.01
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-(4-phenylbutyl)piperidin-3-one
CID 114333663
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272

Frequently Asked Questions

What is the IUPAC name of 1-(11-phenylundecyl)piperidine;hydrochloride?
The IUPAC name of 1-(11-phenylundecyl)piperidine;hydrochloride (CID 173446957) is 1-(11-phenylundecyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(11-phenylundecyl)piperidine;hydrochloride?
The canonical SMILES for 1-(11-phenylundecyl)piperidine;hydrochloride is Cl.c1ccc(CCCCCCCCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-(11-phenylundecyl)piperidine;hydrochloride?
The InChIKey is GQZBYOILKOKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N.ClH/c1(2-4-6-10-16-22-17-11-8-12-18-22)3-5-7-13-19-23-20-14-9-15-21-23;/h8,11-12,17-18H,1-7,9-10,13-16,19-21H2;1H.
What are the key properties of 1-(11-phenylundecyl)piperidine;hydrochloride?
1-(11-phenylundecyl)piperidine;hydrochloride has a molecular weight of 352.01 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-phenylundecyl)piperidine;hydrochloride is sourced from PubChem (CID 173446957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).