N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine

C14H21IN2 — CID 114256846

IUPACN-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine
SMILESCc1c(I)cccc1NC1CCNCC1(C)C
InChIInChI=1S/C14H21IN2/c1-10-11(15)5-4-6-12(10)17-13-7-8-16-9-14(13,2)3/h4-6,13,16-17H,7-9H2,1-3H3
InChIKeyMLSJYMXICANMFK-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.40
Rot. Bonds2

About N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine

N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 114256846) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine
PubChem CID114256846
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC NameN-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine
SMILESCc1c(I)cccc1NC1CCNCC1(C)C
InChIInChI=1S/C14H21IN2/c1-10-11(15)5-4-6-12(10)17-13-7-8-16-9-14(13,2)3/h4-6,13,16-17H,7-9H2,1-3H3
InChIKeyMLSJYMXICANMFK-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine (CID 114256846) is N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine is Cc1c(I)cccc1NC1CCNCC1(C)C.
What is the InChIKey of N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is MLSJYMXICANMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-10-11(15)5-4-6-12(10)17-13-7-8-16-9-14(13,2)3/h4-6,13,16-17H,7-9H2,1-3H3.
What are the key properties of N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine?
N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 344.24 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114256846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).