1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine

C19H32N2 — CID 63794705

IUPAC1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCC(CC)(CC)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-17(20)15-16-7-9-18(10-8-16)21-13-11-19(5-2,6-3)12-14-21/h7-10,17H,4-6,11-15,20H2,1-3H3
InChIKeyCRBMONDGIHLCKR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.37
Rot. Bonds6

About 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine

1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 63794705) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
PubChem CID63794705
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCC(CC)(CC)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-17(20)15-16-7-9-18(10-8-16)21-13-11-19(5-2,6-3)12-14-21/h7-10,17H,4-6,11-15,20H2,1-3H3
InChIKeyCRBMONDGIHLCKR-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-dihydroisoindol-2-yl)phenyl]butan-2-amine
CID 63795022
1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 63161280
4-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 63158669
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63794169
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine
CID 65286543
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
CID 63816691
(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 131872358
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794357
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine (CID 63794705) is 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCC(CC)(CC)CC2)cc1.
What is the InChIKey of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is CRBMONDGIHLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-17(20)15-16-7-9-18(10-8-16)21-13-11-19(5-2,6-3)12-14-21/h7-10,17H,4-6,11-15,20H2,1-3H3.
What are the key properties of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine?
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63794705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).