4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride

C22H26ClNO2 — CID 44536996

IUPAC4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCCC(=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO2.ClH/c24-21(25)14-8-16-23-15-7-13-20(17-23)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12H,7-8,13-17H2,(H,24,25);1H
InChIKeyHBYVDONVEDDWDW-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.87
Rot. Bonds6

About 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride

4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride (PubChem CID 44536996) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
PubChem CID44536996
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCCC(=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO2.ClH/c24-21(25)14-8-16-23-15-7-13-20(17-23)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12H,7-8,13-17H2,(H,24,25);1H
InChIKeyHBYVDONVEDDWDW-UHFFFAOYSA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
1-phenyl-5-piperidin-1-ylpentane-1,2-dione
CID 160870242
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
4-(2-benzoyl-9-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-6-yl)butanoic acid
CID 143634258
4-(4-benzhydrylidenepiperidin-1-yl)-1-(4-tert-butyl-2-hydroxyphenyl)butan-1-one
CID 20572778
5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid
CID 10360338
4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butanoic acid
CID 98020260
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
7-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylheptanoic acid
CID 22662959
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
1-(4-phenylbutyl)piperidin-3-one
CID 114333663

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride (CID 44536996) is 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride is Cl.O=C(O)CCCN1CCCC(=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride?
The InChIKey is HBYVDONVEDDWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.ClH/c24-21(25)14-8-16-23-15-7-13-20(17-23)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12H,7-8,13-17H2,(H,24,25);1H.
What are the key properties of 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride?
4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 44536996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).