5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

C17H36N2O — CID 106809903

IUPAC5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1[C@H](C)CCC[C@@H]1C)NC(C)C
InChIInChI=1S/C17H36N2O/c1-6-17(13-20,18-14(2)3)11-8-12-19-15(4)9-7-10-16(19)5/h14-16,18,20H,6-13H2,1-5H3/t15-,16+,17?
InChIKeyPSIMPGQVKGGZPV-SJPCQFCGSA-N
MW284.49 g/mol
LogP3.17
Rot. Bonds8

About 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106809903) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106809903
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1[C@H](C)CCC[C@@H]1C)NC(C)C
InChIInChI=1S/C17H36N2O/c1-6-17(13-20,18-14(2)3)11-8-12-19-15(4)9-7-10-16(19)5/h14-16,18,20H,6-13H2,1-5H3/t15-,16+,17?
InChIKeyPSIMPGQVKGGZPV-SJPCQFCGSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol with MolForge

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Related Compounds

5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 104969013
2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809069
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809954
6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexanoic acid
CID 104968568
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809748
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809760
5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810147
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (CID 106809903) is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCN1[C@H](C)CCC[C@@H]1C)NC(C)C.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is PSIMPGQVKGGZPV-SJPCQFCGSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-17(13-20,18-14(2)3)11-8-12-19-15(4)9-7-10-16(19)5/h14-16,18,20H,6-13H2,1-5H3/t15-,16+,17?.
What are the key properties of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106809903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).