(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol

C11H22N2O — CID 129381092

IUPAC(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol
SMILESC[C@H]1CN(C2CCNCC2)CC[C@@H]1O
InChIInChI=1S/C11H22N2O/c1-9-8-13(7-4-11(9)14)10-2-5-12-6-3-10/h9-12,14H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyONLOSJOHQLXWQP-ONGXEEELSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds1

About (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol

(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol (PubChem CID 129381092) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol
PubChem CID129381092
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol
SMILESC[C@H]1CN(C2CCNCC2)CC[C@@H]1O
InChIInChI=1S/C11H22N2O/c1-9-8-13(7-4-11(9)14)10-2-5-12-6-3-10/h9-12,14H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyONLOSJOHQLXWQP-ONGXEEELSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol (CID 129381092) is (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol is C[C@H]1CN(C2CCNCC2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol?
The InChIKey is ONLOSJOHQLXWQP-ONGXEEELSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-8-13(7-4-11(9)14)10-2-5-12-6-3-10/h9-12,14H,2-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol?
(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol is sourced from PubChem (CID 129381092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).