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

C14H20ClIN2O — CID 119542556

IUPAC(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(I)cc2)CC1.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-16-10-11-6-8-17(9-7-11)14(18)12-2-4-13(15)5-3-12;/h2-5,11,16H,6-10H2,1H3;1H
InChIKeyXFWCWTSDDHSQHA-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.78
Rot. Bonds3

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

(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119542556) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119542556
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(I)cc2)CC1.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-16-10-11-6-8-17(9-7-11)14(18)12-2-4-13(15)5-3-12;/h2-5,11,16H,6-10H2,1H3;1H
InChIKeyXFWCWTSDDHSQHA-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

(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119542556) is (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2ccc(I)cc2)CC1.Cl.
What is the InChIKey of (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is XFWCWTSDDHSQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c1-16-10-11-6-8-17(9-7-11)14(18)12-2-4-13(15)5-3-12;/h2-5,11,16H,6-10H2,1H3;1H.
What are the key properties of (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(4-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 (4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119542556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).