[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine

C15H23IN2 — CID 114083156

IUPAC[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C(C)c2ccc(I)cc2)CC1CN
InChIInChI=1S/C15H23IN2/c1-11-7-8-18(10-14(11)9-17)12(2)13-3-5-15(16)6-4-13/h3-6,11-12,14H,7-10,17H2,1-2H3
InChIKeyCECJBSCQBHOMAO-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.27
Rot. Bonds3

About [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine

[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114083156) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114083156
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C(C)c2ccc(I)cc2)CC1CN
InChIInChI=1S/C15H23IN2/c1-11-7-8-18(10-14(11)9-17)12(2)13-3-5-15(16)6-4-13/h3-6,11-12,14H,7-10,17H2,1-2H3
InChIKeyCECJBSCQBHOMAO-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 114960002
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959943
[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959902
[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine
CID 114960021
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959869
[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
CID 114960156
[4-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-yl]methanamine
CID 114959769
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine (CID 114083156) is [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine is CC1CCN(C(C)c2ccc(I)cc2)CC1CN.
What is the InChIKey of [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is CECJBSCQBHOMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-11-7-8-18(10-14(11)9-17)12(2)13-3-5-15(16)6-4-13/h3-6,11-12,14H,7-10,17H2,1-2H3.
What are the key properties of [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 358.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114083156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).