(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol

C10H21NO — CID 171159721

IUPAC(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
SMILESC[C@H]1CC[C@H](O)CN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-5-6-9(12)7-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyOJLHLIVZYKSPKC-IUCAKERBSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds

About (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol

(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol (PubChem CID 171159721) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
PubChem CID171159721
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
SMILESC[C@H]1CC[C@H](O)CN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-5-6-9(12)7-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyOJLHLIVZYKSPKC-IUCAKERBSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-methylaziridine
CID 15557486
1,6-dimethylpiperidin-3-ol;ethane
CID 170766589
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 93498601
(4R,7R)-1,7-dimethylazepan-4-ol
CID 167089908
(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 59596527
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
CID 160603058
(2R,4S)-1-tert-butyl-4-chloro-2-methylpyrrolidine
CID 153298890
cyclohexane-1,4-diol
CID 11162
4-methylcyclohexan-1-ol
CID 11524
1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol
CID 130854824

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol?
The IUPAC name of (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol (CID 171159721) is (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol.
What is the SMILES notation for (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol?
The canonical SMILES for (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol is C[C@H]1CC[C@H](O)CN1C(C)(C)C.
What is the InChIKey of (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol?
The InChIKey is OJLHLIVZYKSPKC-IUCAKERBSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-6-9(12)7-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol?
(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol is sourced from PubChem (CID 171159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).