3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine

C22H30N2O — CID 139833037

IUPAC3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine
SMILESCCOc1ccc(C2(c3ccccc3)CCN(CCCN)CC2)cc1
InChIInChI=1S/C22H30N2O/c1-2-25-21-11-9-20(10-12-21)22(19-7-4-3-5-8-19)13-17-24(18-14-22)16-6-15-23/h3-5,7-12H,2,6,13-18,23H2,1H3
InChIKeyFARNENQOLPPEAQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.82
Rot. Bonds7

About 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine

3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine (PubChem CID 139833037) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine
PubChem CID139833037
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine
SMILESCCOc1ccc(C2(c3ccccc3)CCN(CCCN)CC2)cc1
InChIInChI=1S/C22H30N2O/c1-2-25-21-11-9-20(10-12-21)22(19-7-4-3-5-8-19)13-17-24(18-14-22)16-6-15-23/h3-5,7-12H,2,6,13-18,23H2,1H3
InChIKeyFARNENQOLPPEAQ-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine (CID 139833037) is 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine is CCOc1ccc(C2(c3ccccc3)CCN(CCCN)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine?
The InChIKey is FARNENQOLPPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-25-21-11-9-20(10-12-21)22(19-7-4-3-5-8-19)13-17-24(18-14-22)16-6-15-23/h3-5,7-12H,2,6,13-18,23H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine?
3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine has a molecular weight of 338.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)-4-phenylpiperidin-1-yl]propan-1-amine is sourced from PubChem (CID 139833037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).