2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol

C10H21NO — CID 143395873

IUPAC2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
SMILESCC(C)(O)CC[C@@H]1CCCCN1
InChIInChI=1S/C10H21NO/c1-10(2,12)7-6-9-5-3-4-8-11-9/h9,11-12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySDXKPZJJRHFBSZ-VIFPVBQESA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol

2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol (PubChem CID 143395873) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
PubChem CID143395873
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
SMILESCC(C)(O)CC[C@@H]1CCCCN1
InChIInChI=1S/C10H21NO/c1-10(2,12)7-6-9-5-3-4-8-11-9/h9,11-12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySDXKPZJJRHFBSZ-VIFPVBQESA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
ethane;2-piperidin-2-ylethanol
CID 91203064
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid
CID 19075764
2-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 58843832
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
2-(4-methoxy-4-methylpentyl)piperidine
CID 121009823
azane;2-propylpiperidine
CID 156844924
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
2-tetradecylpiperidine
CID 151771246
2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
CID 130315688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol (CID 143395873) is 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol is CC(C)(O)CC[C@@H]1CCCCN1.
What is the InChIKey of 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol?
The InChIKey is SDXKPZJJRHFBSZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,12)7-6-9-5-3-4-8-11-9/h9,11-12H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol?
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol is sourced from PubChem (CID 143395873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).