(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol

C9H20N2O — CID 90286839

IUPAC(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
SMILESCC(C)(C)N1CC[C@H](O)[C@H](N)C1
InChIInChI=1S/C9H20N2O/c1-9(2,3)11-5-4-8(12)7(10)6-11/h7-8,12H,4-6,10H2,1-3H3/t7-,8+/m1/s1
InChIKeyLLLNISQBVGTWAX-SFYZADRCSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds

About (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol

(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol (PubChem CID 90286839) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
PubChem CID90286839
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
SMILESCC(C)(C)N1CC[C@H](O)[C@H](N)C1
InChIInChI=1S/C9H20N2O/c1-9(2,3)11-5-4-8(12)7(10)6-11/h7-8,12H,4-6,10H2,1-3H3/t7-,8+/m1/s1
InChIKeyLLLNISQBVGTWAX-SFYZADRCSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
3-amino-1-(3-methylhexan-3-yl)piperidin-4-ol
CID 129310394
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
1-tert-butylpyrrolidine-3-carbothioamide
CID 172787377
(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
CID 159904713

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol (CID 90286839) is (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol is CC(C)(C)N1CC[C@H](O)[C@H](N)C1.
What is the InChIKey of (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol?
The InChIKey is LLLNISQBVGTWAX-SFYZADRCSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)11-5-4-8(12)7(10)6-11/h7-8,12H,4-6,10H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol?
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-tert-butylpiperidin-4-ol is sourced from PubChem (CID 90286839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).