(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone

C18H27NO — CID 116569053

IUPAC(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCc1ccc(C(=O)C2(CCC)CCNCC2)cc1
InChIInChI=1S/C18H27NO/c1-3-5-15-6-8-16(9-7-15)17(20)18(10-4-2)11-13-19-14-12-18/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyYMIFMAVXMSTFRF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.99
Rot. Bonds6

About (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone

(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 116569053) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
PubChem CID116569053
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCc1ccc(C(=O)C2(CCC)CCNCC2)cc1
InChIInChI=1S/C18H27NO/c1-3-5-15-6-8-16(9-7-15)17(20)18(10-4-2)11-13-19-14-12-18/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyYMIFMAVXMSTFRF-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
furan-3-yl-(4-propylpiperidin-4-yl)methanone
CID 116569278
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569203
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
CID 103133140

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone (CID 116569053) is (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone is CCCc1ccc(C(=O)C2(CCC)CCNCC2)cc1.
What is the InChIKey of (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is YMIFMAVXMSTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-5-15-6-8-16(9-7-15)17(20)18(10-4-2)11-13-19-14-12-18/h6-9,19H,3-5,10-14H2,1-2H3.
What are the key properties of (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone?
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 273.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 116569053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).