N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

C18H30N2 — CID 103495170

IUPACN-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCCNC(CN1CCC(C(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-19-18(17-8-6-5-7-9-17)14-20-12-10-16(11-13-20)15(2)3/h5-9,15-16,18-19H,4,10-14H2,1-3H3
InChIKeyFSBXLDKFHZFPRJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (PubChem CID 103495170) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
PubChem CID103495170
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCCNC(CN1CCC(C(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-19-18(17-8-6-5-7-9-17)14-20-12-10-16(11-13-20)15(2)3/h5-9,15-16,18-19H,4,10-14H2,1-3H3
InChIKeyFSBXLDKFHZFPRJ-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
CID 82746306
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The IUPAC name of N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (CID 103495170) is N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is CCNC(CN1CCC(C(C)C)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The InChIKey is FSBXLDKFHZFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-18(17-8-6-5-7-9-17)14-20-12-10-16(11-13-20)15(2)3/h5-9,15-16,18-19H,4,10-14H2,1-3H3.
What are the key properties of N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 103495170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).