2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol

C17H36N2O — CID 62261558

IUPAC2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
SMILESCCCC(C)(CNC(C)C)CN1CCCCC1CCO
InChIInChI=1S/C17H36N2O/c1-5-10-17(4,13-18-15(2)3)14-19-11-7-6-8-16(19)9-12-20/h15-16,18,20H,5-14H2,1-4H3
InChIKeyXMYCLWQFNPAMBZ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds9

About 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol

2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol (PubChem CID 62261558) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
PubChem CID62261558
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
SMILESCCCC(C)(CNC(C)C)CN1CCCCC1CCO
InChIInChI=1S/C17H36N2O/c1-5-10-17(4,13-18-15(2)3)14-19-11-7-6-8-16(19)9-12-20/h15-16,18,20H,5-14H2,1-4H3
InChIKeyXMYCLWQFNPAMBZ-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
CID 62479393
N-tert-butyl-2-methyl-2-[(2-propylpiperidin-1-yl)methyl]pentan-1-amine
CID 83046317
2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
CID 62262685
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63493459
2-methyl-2-[(2-propylpiperidin-1-yl)methyl]butan-1-amine
CID 83055635

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol (CID 62261558) is 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol is CCCC(C)(CNC(C)C)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol?
The InChIKey is XMYCLWQFNPAMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-10-17(4,13-18-15(2)3)14-19-11-7-6-8-16(19)9-12-20/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol?
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62261558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).