1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine

C17H28N2O — CID 62327025

IUPAC1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine
SMILESCCC(C)Oc1cccc(N2CCC(NC)CC2C)c1
InChIInChI=1S/C17H28N2O/c1-5-14(3)20-17-8-6-7-16(12-17)19-10-9-15(18-4)11-13(19)2/h6-8,12-15,18H,5,9-11H2,1-4H3
InChIKeyOBRCSUQSWCFYEF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.44
Rot. Bonds5

About 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine

1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine (PubChem CID 62327025) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine
PubChem CID62327025
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine
SMILESCCC(C)Oc1cccc(N2CCC(NC)CC2C)c1
InChIInChI=1S/C17H28N2O/c1-5-14(3)20-17-8-6-7-16(12-17)19-10-9-15(18-4)11-13(19)2/h6-8,12-15,18H,5,9-11H2,1-4H3
InChIKeyOBRCSUQSWCFYEF-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975485
methyl 1-(3-butan-2-yloxyphenyl)azetidine-2-carboxylate
CID 112581386
1-(3-butan-2-yloxyphenyl)-2-methylpiperazine
CID 64930917
1-(3-butan-2-yloxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 62329601
1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one
CID 62327203
N-ethyl-2-methyl-1-(3-methylphenyl)piperidin-4-amine
CID 54975435
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
CID 62327372
1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975421
1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975874
1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 62329429
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine (CID 62327025) is 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine is CCC(C)Oc1cccc(N2CCC(NC)CC2C)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine?
The InChIKey is OBRCSUQSWCFYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-14(3)20-17-8-6-7-16(12-17)19-10-9-15(18-4)11-13(19)2/h6-8,12-15,18H,5,9-11H2,1-4H3.
What are the key properties of 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine?
1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 62327025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).