1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol

C16H31NO — CID 102008575

IUPAC1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol
SMILESCN1CC[C@@H](C(C)(C)C)C[C@H]1C1(O)CCCCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-8-11-17(4)14(12-13)16(18)9-6-5-7-10-16/h13-14,18H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyQTHGTYCXZLZQIA-KGLIPLIRSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds1

About 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol

1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol (PubChem CID 102008575) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol
PubChem CID102008575
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol
SMILESCN1CC[C@@H](C(C)(C)C)C[C@H]1C1(O)CCCCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-8-11-17(4)14(12-13)16(18)9-6-5-7-10-16/h13-14,18H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyQTHGTYCXZLZQIA-KGLIPLIRSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol (CID 102008575) is 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol is CN1CC[C@@H](C(C)(C)C)C[C@H]1C1(O)CCCCC1.
What is the InChIKey of 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol?
The InChIKey is QTHGTYCXZLZQIA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)13-8-11-17(4)14(12-13)16(18)9-6-5-7-10-16/h13-14,18H,5-12H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol?
1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 102008575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).