(3R,4S)-4-iodo-3-propan-2-ylpiperidine

C8H16IN — CID 139491710

IUPAC(3R,4S)-4-iodo-3-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CNCC[C@@H]1I
InChIInChI=1S/C8H16IN/c1-6(2)7-5-10-4-3-8(7)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyMOAJIRRZDBCDHD-YUMQZZPRSA-N
MW253.13 g/mol
LogP2.06
Rot. Bonds1

About (3R,4S)-4-iodo-3-propan-2-ylpiperidine

(3R,4S)-4-iodo-3-propan-2-ylpiperidine (PubChem CID 139491710) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is (3R,4S)-4-iodo-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-4-iodo-3-propan-2-ylpiperidine
PubChem CID139491710
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name(3R,4S)-4-iodo-3-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CNCC[C@@H]1I
InChIInChI=1S/C8H16IN/c1-6(2)7-5-10-4-3-8(7)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyMOAJIRRZDBCDHD-YUMQZZPRSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-propan-2-ylpyrrolidine
CID 134386963
3-methyl-4-propan-2-ylpiperidine
CID 58394699
(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine
CID 162785126
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148
3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
N,N-dimethyl-4-propan-2-ylpiperidin-3-amine
CID 130002958
(3R,4S)-3-ethyl-4-iodopiperidine
CID 134386985
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
5-propan-2-ylazepan-4-amine
CID 84763761

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-iodo-3-propan-2-ylpiperidine?
The IUPAC name of (3R,4S)-4-iodo-3-propan-2-ylpiperidine (CID 139491710) is (3R,4S)-4-iodo-3-propan-2-ylpiperidine.
What is the SMILES notation for (3R,4S)-4-iodo-3-propan-2-ylpiperidine?
The canonical SMILES for (3R,4S)-4-iodo-3-propan-2-ylpiperidine is CC(C)[C@@H]1CNCC[C@@H]1I.
What is the InChIKey of (3R,4S)-4-iodo-3-propan-2-ylpiperidine?
The InChIKey is MOAJIRRZDBCDHD-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16IN/c1-6(2)7-5-10-4-3-8(7)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (3R,4S)-4-iodo-3-propan-2-ylpiperidine?
(3R,4S)-4-iodo-3-propan-2-ylpiperidine has a molecular weight of 253.13 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-iodo-3-propan-2-ylpiperidine is sourced from PubChem (CID 139491710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).