3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine

C17H28N2O — CID 81458177

IUPAC3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2cccc(OC(C)C)c2)CCC1N
InChIInChI=1S/C17H28N2O/c1-4-15-12-19(9-8-17(15)18)11-14-6-5-7-16(10-14)20-13(2)3/h5-7,10,13,15,17H,4,8-9,11-12,18H2,1-3H3
InChIKeyQUNRGQQEYNIVMO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds5

About 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine

3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (PubChem CID 81458177) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
PubChem CID81458177
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2cccc(OC(C)C)c2)CCC1N
InChIInChI=1S/C17H28N2O/c1-4-15-12-19(9-8-17(15)18)11-14-6-5-7-16(10-14)20-13(2)3/h5-7,10,13,15,17H,4,8-9,11-12,18H2,1-3H3
InChIKeyQUNRGQQEYNIVMO-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (CID 81458177) is 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is CCC1CN(Cc2cccc(OC(C)C)c2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The InChIKey is QUNRGQQEYNIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-12-19(9-8-17(15)18)11-14-6-5-7-16(10-14)20-13(2)3/h5-7,10,13,15,17H,4,8-9,11-12,18H2,1-3H3.
What are the key properties of 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 81458177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).