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

C16H34N2O — CID 104969013

IUPAC5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H34N2O/c1-13(2)17-16(5,12-19)10-7-11-18-14(3)8-6-9-15(18)4/h13-15,17,19H,6-12H2,1-5H3/t14-,15+,16?
InChIKeyZCJCAMXEXWKCEM-XYPWUTKMSA-N
MW270.46 g/mol
LogP2.78
Rot. Bonds7

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

5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 104969013) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID104969013
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H34N2O/c1-13(2)17-16(5,12-19)10-7-11-18-14(3)8-6-9-15(18)4/h13-15,17,19H,6-12H2,1-5H3/t14-,15+,16?
InChIKeyZCJCAMXEXWKCEM-XYPWUTKMSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809903
6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexanoic acid
CID 104968568
5-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795994
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-amino-6-(2,6-dimethylpiperidin-1-yl)-2-methylhexan-1-ol
CID 64797401
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
5-(3-ethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797909
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449
2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 64791235
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 103540847
2-amino-4-(2,6-dimethylpiperidin-1-yl)-2-methylbutan-1-ol
CID 64798894

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 104969013) is 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CCCN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is ZCJCAMXEXWKCEM-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)17-16(5,12-19)10-7-11-18-14(3)8-6-9-15(18)4/h13-15,17,19H,6-12H2,1-5H3/t14-,15+,16?.
What are the key properties of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 104969013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).