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

C12H25NO — CID 171581887

IUPAC(3S,4S)-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-QWRGUYRKSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds2

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

(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol (PubChem CID 171581887) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
PubChem CID171581887
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3S,4S)-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-QWRGUYRKSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol (CID 171581887) is (3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-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,4S)-1-tert-butyl-3-propylpiperidin-4-ol?
The InChIKey is NMNMHLYZBYSCDB-QWRGUYRKSA-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,4S)-1-tert-butyl-3-propylpiperidin-4-ol?
(3S,4S)-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,4S)-1-tert-butyl-3-propylpiperidin-4-ol is sourced from PubChem (CID 171581887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).