1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

C14H20ClNO — CID 3024978

IUPAC1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCc1ccc(C(=O)CCN2CCCC2)cc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-12-4-6-13(7-5-12)14(16)8-11-15-9-2-3-10-15;/h4-7H,2-3,8-11H2,1H3;1H
InChIKeyLZTSEHXSSHJUIV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 3024978) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID3024978
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCc1ccc(C(=O)CCN2CCCC2)cc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-12-4-6-13(7-5-12)14(16)8-11-15-9-2-3-10-15;/h4-7H,2-3,8-11H2,1H3;1H
InChIKeyLZTSEHXSSHJUIV-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 62612643
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 3024978) is 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride is Cc1ccc(C(=O)CCN2CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is LZTSEHXSSHJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-12-4-6-13(7-5-12)14(16)8-11-15-9-2-3-10-15;/h4-7H,2-3,8-11H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride?
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 3024978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).