(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone

C18H27NO2 — CID 116569714

IUPAC(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCOc1ccc(C(=O)C2(CCC)CCCNC2)cc1
InChIInChI=1S/C18H27NO2/c1-3-10-18(11-5-12-19-14-18)17(20)15-6-8-16(9-7-15)21-13-4-2/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyAHAXBEWRVBOMMM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds7

About (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone

(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569714) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID116569714
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCOc1ccc(C(=O)C2(CCC)CCCNC2)cc1
InChIInChI=1S/C18H27NO2/c1-3-10-18(11-5-12-19-14-18)17(20)15-6-8-16(9-7-15)21-13-4-2/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyAHAXBEWRVBOMMM-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
CID 116569701
3-fluoro-3-(4-propoxyphenyl)piperidine
CID 112562960
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone (CID 116569714) is (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone is CCCOc1ccc(C(=O)C2(CCC)CCCNC2)cc1.
What is the InChIKey of (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is AHAXBEWRVBOMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-10-18(11-5-12-19-14-18)17(20)15-6-8-16(9-7-15)21-13-4-2/h6-9,19H,3-5,10-14H2,1-2H3.
What are the key properties of (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone?
(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).