(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol

C15H29NO — CID 26458259

IUPAC(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol
SMILESCC(C)(C)C1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)12-6-8-13(9-7-12)16-10-4-5-14(17)11-16/h12-14,17H,4-11H2,1-3H3/t12?,13?,14-/m0/s1
InChIKeyZBTCHNNANVSKLS-RUXDESIVSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds1

About (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol

(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol (PubChem CID 26458259) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol
PubChem CID26458259
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol
SMILESCC(C)(C)C1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)12-6-8-13(9-7-12)16-10-4-5-14(17)11-16/h12-14,17H,4-11H2,1-3H3/t12?,13?,14-/m0/s1
InChIKeyZBTCHNNANVSKLS-RUXDESIVSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol (CID 26458259) is (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol is CC(C)(C)C1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol?
The InChIKey is ZBTCHNNANVSKLS-RUXDESIVSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)12-6-8-13(9-7-12)16-10-4-5-14(17)11-16/h12-14,17H,4-11H2,1-3H3/t12?,13?,14-/m0/s1.
What are the key properties of (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol?
(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol is sourced from PubChem (CID 26458259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).