1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine

C16H25IN2 — CID 67653875

IUPAC1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(N1CCCCC1)C(N)(I)c1ccccc1
InChIInChI=1S/C16H25IN2/c1-3-15(2,19-12-8-5-9-13-19)16(17,18)14-10-6-4-7-11-14/h4,6-7,10-11H,3,5,8-9,12-13,18H2,1-2H3
InChIKeyXYKHGPAMVDNQGM-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.89
Rot. Bonds4

About 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine

1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 67653875) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine
PubChem CID67653875
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(N1CCCCC1)C(N)(I)c1ccccc1
InChIInChI=1S/C16H25IN2/c1-3-15(2,19-12-8-5-9-13-19)16(17,18)14-10-6-4-7-11-14/h4,6-7,10-11H,3,5,8-9,12-13,18H2,1-2H3
InChIKeyXYKHGPAMVDNQGM-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.89
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

2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536
2-phenyl-2-pyrrolidin-1-ylbutanoic acid
CID 43803457
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
(1R)-1-iodo-1-phenylethanamine
CID 68727841
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
2-methoxy-2-phenyl-2-piperidin-1-ylacetamide
CID 69092730
1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine
CID 86244142
2-ethyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067649
3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
CID 43829646
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine (CID 67653875) is 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(N1CCCCC1)C(N)(I)c1ccccc1.
What is the InChIKey of 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is XYKHGPAMVDNQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-3-15(2,19-12-8-5-9-13-19)16(17,18)14-10-6-4-7-11-14/h4,6-7,10-11H,3,5,8-9,12-13,18H2,1-2H3.
What are the key properties of 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine?
1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 372.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 67653875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).