1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine

C19H31NO — CID 23001016

IUPAC1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine
SMILESCCCC1(c2cccc(OC(C)C)c2)CCN(CC)CC1
InChIInChI=1S/C19H31NO/c1-5-10-19(11-13-20(6-2)14-12-19)17-8-7-9-18(15-17)21-16(3)4/h7-9,15-16H,5-6,10-14H2,1-4H3
InChIKeyOCCGNCQHPOWJOZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.63
Rot. Bonds6

About 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine

1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine (PubChem CID 23001016) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine.

Molecular Properties

Compound Name1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine
PubChem CID23001016
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine
SMILESCCCC1(c2cccc(OC(C)C)c2)CCN(CC)CC1
InChIInChI=1S/C19H31NO/c1-5-10-19(11-13-20(6-2)14-12-19)17-8-7-9-18(15-17)21-16(3)4/h7-9,15-16H,5-6,10-14H2,1-4H3
InChIKeyOCCGNCQHPOWJOZ-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine?
The IUPAC name of 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine (CID 23001016) is 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine.
What is the SMILES notation for 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine?
The canonical SMILES for 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine is CCCC1(c2cccc(OC(C)C)c2)CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine?
The InChIKey is OCCGNCQHPOWJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-10-19(11-13-20(6-2)14-12-19)17-8-7-9-18(15-17)21-16(3)4/h7-9,15-16H,5-6,10-14H2,1-4H3.
What are the key properties of 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine?
1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine has a molecular weight of 289.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine is sourced from PubChem (CID 23001016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).