1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine

C18H30N2 — CID 63161280

IUPAC1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
SMILESCCC1(CC)CCN(CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-18(4-2)10-12-20(13-11-18)15-17(19)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15,19H2,1-2H3
InChIKeyLAUUYEANVRFUQE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine

1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine (PubChem CID 63161280) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
PubChem CID63161280
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
SMILESCCC1(CC)CCN(CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-18(4-2)10-12-20(13-11-18)15-17(19)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15,19H2,1-2H3
InChIKeyLAUUYEANVRFUQE-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-azaspiro[4.5]decan-8-yl)-3-phenylpropan-2-amine
CID 63161076
1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 62205972
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102744386
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
1-(4,4-diethylpiperidin-1-yl)-4-methoxybutan-2-amine
CID 55159302
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63794705
2-(4,4-diethylpiperidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 63467884
2-(4,4-diethylpiperidin-1-yl)-1-(2-methoxyphenyl)ethanamine
CID 63160864
1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-2-amine
CID 43592951
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropan-2-amine
CID 43620478
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine (CID 63161280) is 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine is CCC1(CC)CCN(CC(N)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine?
The InChIKey is LAUUYEANVRFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-18(4-2)10-12-20(13-11-18)15-17(19)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15,19H2,1-2H3.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine?
1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 63161280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).