(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol

C12H25NO — CID 171581981

IUPAC(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
SMILESCCC[C@H]1CN(C(C)(C)C)CC[C@H]1O
InChIInChI=1S/C12H25NO/c1-5-6-10-9-13(12(2,3)4)8-7-11(10)14/h10-11,14H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyNMNMHLYZBYSCDB-WDEREUQCSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds2

About (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol

(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol (PubChem CID 171581981) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
PubChem CID171581981
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
SMILESCCC[C@H]1CN(C(C)(C)C)CC[C@H]1O
InChIInChI=1S/C12H25NO/c1-5-6-10-9-13(12(2,3)4)8-7-11(10)14/h10-11,14H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyNMNMHLYZBYSCDB-WDEREUQCSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
CID 129496536
3-amino-1-(3-methylhexan-3-yl)piperidin-4-ol
CID 129310394
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901
N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
CID 121202978
(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
CID 129499913
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
4-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]-4-oxobutanoic acid
CID 129497980

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol (CID 171581981) is (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol is CCC[C@H]1CN(C(C)(C)C)CC[C@H]1O.
What is the InChIKey of (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol?
The InChIKey is NMNMHLYZBYSCDB-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-10-9-13(12(2,3)4)8-7-11(10)14/h10-11,14H,5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol?
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol is sourced from PubChem (CID 171581981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).