(2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine

C9H16IN — CID 167089900

IUPAC(2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine
SMILESC[C@@H]1[C@H](C2CC2)CCCN1I
InChIInChI=1S/C9H16IN/c1-7-9(8-4-5-8)3-2-6-11(7)10/h7-9H,2-6H2,1H3/t7-,9-/m1/s1
InChIKeyBMYFUOZHLGQALJ-VXNVDRBHSA-N
MW265.14 g/mol
LogP2.85
Rot. Bonds1

About (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine

(2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine (PubChem CID 167089900) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine.

Molecular Properties

Compound Name(2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine
PubChem CID167089900
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Name(2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine
SMILESC[C@@H]1[C@H](C2CC2)CCCN1I
InChIInChI=1S/C9H16IN/c1-7-9(8-4-5-8)3-2-6-11(7)10/h7-9H,2-6H2,1H3/t7-,9-/m1/s1
InChIKeyBMYFUOZHLGQALJ-VXNVDRBHSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-1,2-dimethylpyrrolidine
CID 178104321
2-ethyl-1-iodopyrrolidine
CID 88932324
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
(3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 126704123
(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine
CID 130778942
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
7-methyl-6-azatricyclo[6.2.1.02,6]undecane
CID 45098495
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine?
The IUPAC name of (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine (CID 167089900) is (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine.
What is the SMILES notation for (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine?
The canonical SMILES for (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine is C[C@@H]1[C@H](C2CC2)CCCN1I.
What is the InChIKey of (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine?
The InChIKey is BMYFUOZHLGQALJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16IN/c1-7-9(8-4-5-8)3-2-6-11(7)10/h7-9H,2-6H2,1H3/t7-,9-/m1/s1.
What are the key properties of (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine?
(2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine has a molecular weight of 265.14 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-cyclopropyl-1-iodo-2-methylpiperidine is sourced from PubChem (CID 167089900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).