(3R,4R)-4-azido-1-methylpiperidin-3-ol

C6H12N4O — CID 149434787

IUPAC(3R,4R)-4-azido-1-methylpiperidin-3-ol
SMILESCN1CC[C@@H](N=[N+]=[N-])[C@H](O)C1
InChIInChI=1S/C6H12N4O/c1-10-3-2-5(8-9-7)6(11)4-10/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyNMUVVDUJRJZXKH-PHDIDXHHSA-N
MW156.19 g/mol
LogP0.36
Rot. Bonds1

About (3R,4R)-4-azido-1-methylpiperidin-3-ol

(3R,4R)-4-azido-1-methylpiperidin-3-ol (PubChem CID 149434787) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (3R,4R)-4-azido-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-azido-1-methylpiperidin-3-ol
PubChem CID149434787
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(3R,4R)-4-azido-1-methylpiperidin-3-ol
SMILESCN1CC[C@@H](N=[N+]=[N-])[C@H](O)C1
InChIInChI=1S/C6H12N4O/c1-10-3-2-5(8-9-7)6(11)4-10/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyNMUVVDUJRJZXKH-PHDIDXHHSA-N
XLogP0.36
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-azido-1-propylpiperidin-3-ol
CID 149434789
4-azido-1-butylpiperidin-3-ol
CID 123520759
ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 18643573
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
4-azido-1-benzylpiperidin-3-ol
CID 76766265
(3R,4R)-1-methyl-4-(methylamino)piperidin-3-ol
CID 67311955
8-azidocyclooct-4-en-1-ol
CID 173485913
2,5-diazidocyclopentan-1-ol
CID 85255446
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
(4aS,6R,8aS)-6-azido-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58075238
4-iodo-1-methylpiperidin-3-ol
CID 134434558
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-azido-1-methylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-azido-1-methylpiperidin-3-ol (CID 149434787) is (3R,4R)-4-azido-1-methylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-azido-1-methylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-azido-1-methylpiperidin-3-ol is CN1CC[C@@H](N=[N+]=[N-])[C@H](O)C1.
What is the InChIKey of (3R,4R)-4-azido-1-methylpiperidin-3-ol?
The InChIKey is NMUVVDUJRJZXKH-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10-3-2-5(8-9-7)6(11)4-10/h5-6,11H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-azido-1-methylpiperidin-3-ol?
(3R,4R)-4-azido-1-methylpiperidin-3-ol has a molecular weight of 156.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-azido-1-methylpiperidin-3-ol is sourced from PubChem (CID 149434787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).