(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol

C14H29NO — CID 6556835

IUPAC(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol
SMILESCC(C)(C)C[C@@H]1C[C@@H](O)CN(C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h11-12,16H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyHQGXKUPASNHPPJ-NWDGAFQWSA-N
MW227.39 g/mol
LogP2.90
Rot. Bonds1

About (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol

(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol (PubChem CID 6556835) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol
PubChem CID6556835
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol
SMILESCC(C)(C)C[C@@H]1C[C@@H](O)CN(C(C)(C)C)C1
InChIInChI=1S/C14H29NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h11-12,16H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyHQGXKUPASNHPPJ-NWDGAFQWSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol?
The IUPAC name of (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol (CID 6556835) is (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol.
What is the SMILES notation for (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol?
The canonical SMILES for (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol is CC(C)(C)C[C@@H]1C[C@@H](O)CN(C(C)(C)C)C1.
What is the InChIKey of (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol?
The InChIKey is HQGXKUPASNHPPJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h11-12,16H,7-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol?
(3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol has a molecular weight of 227.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-ol is sourced from PubChem (CID 6556835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).