[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride

C14H20ClIN2O — CID 119592641

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(I)cc2)C1.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-10(16)12-3-2-8-17(9-12)14(18)11-4-6-13(15)7-5-11;/h4-7,10,12H,2-3,8-9,16H2,1H3;1H
InChIKeyLPTIXGVEZJLARG-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.91
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride (PubChem CID 119592641) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
PubChem CID119592641
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(I)cc2)C1.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-10(16)12-3-2-8-17(9-12)14(18)11-4-6-13(15)7-5-11;/h4-7,10,12H,2-3,8-9,16H2,1H3;1H
InChIKeyLPTIXGVEZJLARG-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 52.91
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

[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454
[3-(1-aminoethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119596081
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119595353
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 124691388
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
1-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119595515
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride (CID 119592641) is [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride is CC(N)C1CCCN(C(=O)c2ccc(I)cc2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride?
The InChIKey is LPTIXGVEZJLARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c1-10(16)12-3-2-8-17(9-12)14(18)11-4-6-13(15)7-5-11;/h4-7,10,12H,2-3,8-9,16H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride has a molecular weight of 394.68 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride is sourced from PubChem (CID 119592641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).