(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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Related Compounds

cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
3-(propan-2-ylamino)cycloheptan-1-ol
CID 160609920
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
CID 164555639
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
azetidin-3-ol;hydrobromide
CID 142777193
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
3-N,5-N-dimethylpiperidine-3,5-diamine
CID 143020328
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318

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).