N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine

C18H30N2O — CID 62326820

IUPACN-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCC(C)Oc1cccc(NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-5-15(4)21-18-8-6-7-17(13-18)19-16-9-11-20(12-10-16)14(2)3/h6-8,13-16,19H,5,9-12H2,1-4H3
InChIKeyJODSIBULSUEPRD-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.15
Rot. Bonds6

About N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine

N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 62326820) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID62326820
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCC(C)Oc1cccc(NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-5-15(4)21-18-8-6-7-17(13-18)19-16-9-11-20(12-10-16)14(2)3/h6-8,13-16,19H,5,9-12H2,1-4H3
InChIKeyJODSIBULSUEPRD-UHFFFAOYSA-N
XLogP4.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
CID 106594573
N-(3-butan-2-yloxyphenyl)piperidin-4-amine
CID 62325027
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712
N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072849
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
1-(3-butan-2-yloxyphenyl)-N,2-dimethylpiperidin-4-amine
CID 62327025
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine (CID 62326820) is N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine is CCC(C)Oc1cccc(NC2CCN(C(C)C)CC2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JODSIBULSUEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-15(4)21-18-8-6-7-17(13-18)19-16-9-11-20(12-10-16)14(2)3/h6-8,13-16,19H,5,9-12H2,1-4H3.
What are the key properties of N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine?
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 62326820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).