(4-ethoxyphenyl)-piperidin-3-ylmethanamine

C14H22N2O — CID 116935799

IUPAC(4-ethoxyphenyl)-piperidin-3-ylmethanamine
SMILESCCOc1ccc(C(N)C2CCCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-2-17-13-7-5-11(6-8-13)14(15)12-4-3-9-16-10-12/h5-8,12,14,16H,2-4,9-10,15H2,1H3
InChIKeyPCTOXSYGPZMAGE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.08
Rot. Bonds4

About (4-ethoxyphenyl)-piperidin-3-ylmethanamine

(4-ethoxyphenyl)-piperidin-3-ylmethanamine (PubChem CID 116935799) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-piperidin-3-ylmethanamine
PubChem CID116935799
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(4-ethoxyphenyl)-piperidin-3-ylmethanamine
SMILESCCOc1ccc(C(N)C2CCCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-2-17-13-7-5-11(6-8-13)14(15)12-4-3-9-16-10-12/h5-8,12,14,16H,2-4,9-10,15H2,1H3
InChIKeyPCTOXSYGPZMAGE-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
(4-ethoxyphenyl)-piperidin-2-ylmethanamine
CID 116935668
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838146
[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
CID 82303366

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-piperidin-3-ylmethanamine?
The IUPAC name of (4-ethoxyphenyl)-piperidin-3-ylmethanamine (CID 116935799) is (4-ethoxyphenyl)-piperidin-3-ylmethanamine.
What is the SMILES notation for (4-ethoxyphenyl)-piperidin-3-ylmethanamine?
The canonical SMILES for (4-ethoxyphenyl)-piperidin-3-ylmethanamine is CCOc1ccc(C(N)C2CCCNC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-piperidin-3-ylmethanamine?
The InChIKey is PCTOXSYGPZMAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-17-13-7-5-11(6-8-13)14(15)12-4-3-9-16-10-12/h5-8,12,14,16H,2-4,9-10,15H2,1H3.
What are the key properties of (4-ethoxyphenyl)-piperidin-3-ylmethanamine?
(4-ethoxyphenyl)-piperidin-3-ylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-piperidin-3-ylmethanamine is sourced from PubChem (CID 116935799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).