1-(iodomethyl)-4-propan-2-ylpiperidine

C9H18IN — CID 149079788

IUPAC1-(iodomethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CI)CC1
InChIInChI=1S/C9H18IN/c1-8(2)9-3-5-11(7-10)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyQQCBLJREMTYTIX-UHFFFAOYSA-N
MW267.15 g/mol
LogP2.75
Rot. Bonds2

About 1-(iodomethyl)-4-propan-2-ylpiperidine

1-(iodomethyl)-4-propan-2-ylpiperidine (PubChem CID 149079788) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 1-(iodomethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(iodomethyl)-4-propan-2-ylpiperidine
PubChem CID149079788
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name1-(iodomethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CI)CC1
InChIInChI=1S/C9H18IN/c1-8(2)9-3-5-11(7-10)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyQQCBLJREMTYTIX-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide
CID 103503843
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
CID 59762014
1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
CID 137409417
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(iodomethyl)-4-propan-2-ylpiperidine (CID 149079788) is 1-(iodomethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(iodomethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(iodomethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CI)CC1.
What is the InChIKey of 1-(iodomethyl)-4-propan-2-ylpiperidine?
The InChIKey is QQCBLJREMTYTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN/c1-8(2)9-3-5-11(7-10)6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(iodomethyl)-4-propan-2-ylpiperidine?
1-(iodomethyl)-4-propan-2-ylpiperidine has a molecular weight of 267.15 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 149079788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).