1-[iodo(phenyl)methyl]piperidin-4-amine

C12H17IN2 — CID 19366322

IUPAC1-[iodo(phenyl)methyl]piperidin-4-amine
SMILESNC1CCN(C(I)c2ccccc2)CC1
InChIInChI=1S/C12H17IN2/c13-12(10-4-2-1-3-5-10)15-8-6-11(14)7-9-15/h1-5,11-12H,6-9,14H2
InChIKeyOIMWXVUTNVRPFE-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.54
Rot. Bonds2

About 1-[iodo(phenyl)methyl]piperidin-4-amine

1-[iodo(phenyl)methyl]piperidin-4-amine (PubChem CID 19366322) has the molecular formula C12H17IN2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-[iodo(phenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[iodo(phenyl)methyl]piperidin-4-amine
PubChem CID19366322
Molecular FormulaC12H17IN2
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name1-[iodo(phenyl)methyl]piperidin-4-amine
SMILESNC1CCN(C(I)c2ccccc2)CC1
InChIInChI=1S/C12H17IN2/c13-12(10-4-2-1-3-5-10)15-8-6-11(14)7-9-15/h1-5,11-12H,6-9,14H2
InChIKeyOIMWXVUTNVRPFE-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-[iodo(phenyl)methyl]pyrrolidine-3-carbonitrile
CID 68788994
1-[phenyl(pyridin-2-yl)methyl]piperidin-4-amine
CID 43130878
(3S)-1-benzhydrylpiperidin-3-amine
CID 126674117
[1-[iodo(phenyl)methyl]azetidin-3-yl]methyl acetate
CID 70494182
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592

Frequently Asked Questions

What is the IUPAC name of 1-[iodo(phenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[iodo(phenyl)methyl]piperidin-4-amine (CID 19366322) is 1-[iodo(phenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[iodo(phenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[iodo(phenyl)methyl]piperidin-4-amine is NC1CCN(C(I)c2ccccc2)CC1.
What is the InChIKey of 1-[iodo(phenyl)methyl]piperidin-4-amine?
The InChIKey is OIMWXVUTNVRPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2/c13-12(10-4-2-1-3-5-10)15-8-6-11(14)7-9-15/h1-5,11-12H,6-9,14H2.
What are the key properties of 1-[iodo(phenyl)methyl]piperidin-4-amine?
1-[iodo(phenyl)methyl]piperidin-4-amine has a molecular weight of 316.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[iodo(phenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 19366322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).