(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C14H20ClIN2O — CID 119544013

IUPAC(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccccc2I)CC1.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-16-10-11-6-8-17(9-7-11)14(18)12-4-2-3-5-13(12)15;/h2-5,11,16H,6-10H2,1H3;1H
InChIKeyLXPKKIFXSGKJNI-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.78
Rot. Bonds3

About (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119544013) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119544013
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccccc2I)CC1.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-16-10-11-6-8-17(9-7-11)14(18)12-4-2-3-5-13(12)15;/h2-5,11,16H,6-10H2,1H3;1H
InChIKeyLXPKKIFXSGKJNI-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 52.78
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

N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
(4,5-difluoro-2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543684
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119544013) is (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2ccccc2I)CC1.Cl.
What is the InChIKey of (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is LXPKKIFXSGKJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c1-16-10-11-6-8-17(9-7-11)14(18)12-4-2-3-5-13(12)15;/h2-5,11,16H,6-10H2,1H3;1H.
What are the key properties of (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 394.68 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119544013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).