1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine

C15H23IN2 — CID 54976134

IUPAC1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cccc(I)c2)CC1C
InChIInChI=1S/C15H23IN2/c1-3-8-17-15-7-9-18(11-12(15)2)14-6-4-5-13(16)10-14/h4-6,10,12,15,17H,3,7-9,11H2,1-2H3
InChIKeyCSTGQRRZICCJFS-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine

1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine (PubChem CID 54976134) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine
PubChem CID54976134
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cccc(I)c2)CC1C
InChIInChI=1S/C15H23IN2/c1-3-8-17-15-7-9-18(11-12(15)2)14-6-4-5-13(16)10-14/h4-6,10,12,15,17H,3,7-9,11H2,1-2H3
InChIKeyCSTGQRRZICCJFS-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 54975533
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine
CID 66349971
1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
CID 104727298
1-[2-(2-methoxyethyl)phenyl]-3-methyl-N-propylpiperidin-4-amine
CID 102906308
(3S)-1-(3-iodophenyl)-3-methylpiperazine
CID 142093679
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
CID 114499438
1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
CID 60861118
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
1-(3-butan-2-yloxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 62329601

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine (CID 54976134) is 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine is CCCNC1CCN(c2cccc(I)c2)CC1C.
What is the InChIKey of 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine?
The InChIKey is CSTGQRRZICCJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-3-8-17-15-7-9-18(11-12(15)2)14-6-4-5-13(16)10-14/h4-6,10,12,15,17H,3,7-9,11H2,1-2H3.
What are the key properties of 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine?
1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine has a molecular weight of 358.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 54976134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).