(4-hexoxyphenyl)-piperidin-3-ylmethanone

C18H27NO2 — CID 82550171

IUPAC(4-hexoxyphenyl)-piperidin-3-ylmethanone
SMILESCCCCCCOc1ccc(C(=O)C2CCCNC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-4-5-13-21-17-10-8-15(9-11-17)18(20)16-7-6-12-19-14-16/h8-11,16,19H,2-7,12-14H2,1H3
InChIKeyMTNXUBLSTBCQAT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds8

About (4-hexoxyphenyl)-piperidin-3-ylmethanone

(4-hexoxyphenyl)-piperidin-3-ylmethanone (PubChem CID 82550171) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-hexoxyphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-hexoxyphenyl)-piperidin-3-ylmethanone
PubChem CID82550171
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4-hexoxyphenyl)-piperidin-3-ylmethanone
SMILESCCCCCCOc1ccc(C(=O)C2CCCNC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-4-5-13-21-17-10-8-15(9-11-17)18(20)16-7-6-12-19-14-16/h8-11,16,19H,2-7,12-14H2,1H3
InChIKeyMTNXUBLSTBCQAT-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
heptyl piperidine-3-carboxylate
CID 13360541
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
1-piperidin-3-ylnonan-1-one
CID 116547942
4-(4-octoxyphenyl)piperidine
CID 90176821
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244

Frequently Asked Questions

What is the IUPAC name of (4-hexoxyphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (4-hexoxyphenyl)-piperidin-3-ylmethanone (CID 82550171) is (4-hexoxyphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-hexoxyphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-hexoxyphenyl)-piperidin-3-ylmethanone is CCCCCCOc1ccc(C(=O)C2CCCNC2)cc1.
What is the InChIKey of (4-hexoxyphenyl)-piperidin-3-ylmethanone?
The InChIKey is MTNXUBLSTBCQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-4-5-13-21-17-10-8-15(9-11-17)18(20)16-7-6-12-19-14-16/h8-11,16,19H,2-7,12-14H2,1H3.
What are the key properties of (4-hexoxyphenyl)-piperidin-3-ylmethanone?
(4-hexoxyphenyl)-piperidin-3-ylmethanone has a molecular weight of 289.42 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxyphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 82550171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).