1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol

C17H28N2O — CID 62619132

IUPAC1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
SMILESCCNC(c1ccccc1)C(C)CN1CCCC(O)C1
InChIInChI=1S/C17H28N2O/c1-3-18-17(15-8-5-4-6-9-15)14(2)12-19-11-7-10-16(20)13-19/h4-6,8-9,14,16-18,20H,3,7,10-13H2,1-2H3
InChIKeyWJXNCVSOWXVYHA-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.43
Rot. Bonds6

About 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol

1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol (PubChem CID 62619132) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
PubChem CID62619132
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
SMILESCCNC(c1ccccc1)C(C)CN1CCCC(O)C1
InChIInChI=1S/C17H28N2O/c1-3-18-17(15-8-5-4-6-9-15)14(2)12-19-11-7-10-16(20)13-19/h4-6,8-9,14,16-18,20H,3,7,10-13H2,1-2H3
InChIKeyWJXNCVSOWXVYHA-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
CID 62974242
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
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,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol?
The IUPAC name of 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol (CID 62619132) is 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol is CCNC(c1ccccc1)C(C)CN1CCCC(O)C1.
What is the InChIKey of 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol?
The InChIKey is WJXNCVSOWXVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-17(15-8-5-4-6-9-15)14(2)12-19-11-7-10-16(20)13-19/h4-6,8-9,14,16-18,20H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol?
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol has a molecular weight of 276.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol is sourced from PubChem (CID 62619132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).