(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol

C8H18N2O — CID 166561286

IUPAC(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol
SMILESCC(C)N[C@H]1CNC[C@@H](O)C1
InChIInChI=1S/C8H18N2O/c1-6(2)10-7-3-8(11)5-9-4-7/h6-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyLGHMMURCXARQCU-SFYZADRCSA-N
MW158.25 g/mol
LogP-0.29
Rot. Bonds2

About (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol

(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol (PubChem CID 166561286) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol
PubChem CID166561286
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol
SMILESCC(C)N[C@H]1CNC[C@@H](O)C1
InChIInChI=1S/C8H18N2O/c1-6(2)10-7-3-8(11)5-9-4-7/h6-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyLGHMMURCXARQCU-SFYZADRCSA-N
XLogP-0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol?
The IUPAC name of (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol (CID 166561286) is (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol?
The canonical SMILES for (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol is CC(C)N[C@H]1CNC[C@@H](O)C1.
What is the InChIKey of (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol?
The InChIKey is LGHMMURCXARQCU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-7-3-8(11)5-9-4-7/h6-11H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol?
(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol has a molecular weight of 158.25 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(propan-2-ylamino)piperidin-3-ol is sourced from PubChem (CID 166561286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).