1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C14H22ClIN2 — CID 119925517

IUPAC1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(Cc2ccc(I)cc2)C1.Cl
InChIInChI=1S/C14H21IN2.ClH/c1-11(16)13-3-2-8-17(10-13)9-12-4-6-14(15)7-5-12;/h4-7,11,13H,2-3,8-10,16H2,1H3;1H
InChIKeyYBHNCPWSNNECQF-UHFFFAOYSA-N
MW380.70 g/mol
LogP3.27
Rot. Bonds3

About 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925517) has the molecular formula C14H22ClIN2 and a molecular weight of 380.70 g/mol. Its IUPAC name is 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925517
Molecular FormulaC14H22ClIN2
Molecular Weight380.70 g/mol
Exact Mass380.05
IUPAC Name1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(Cc2ccc(I)cc2)C1.Cl
InChIInChI=1S/C14H21IN2.ClH/c1-11(16)13-3-2-8-17(10-13)9-12-4-6-14(15)7-5-12;/h4-7,11,13H,2-3,8-10,16H2,1H3;1H
InChIKeyYBHNCPWSNNECQF-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 ≤ 500380.70
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

1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine
CID 6712574
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982699
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 119925517) is 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(Cc2ccc(I)cc2)C1.Cl.
What is the InChIKey of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is YBHNCPWSNNECQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2.ClH/c1-11(16)13-3-2-8-17(10-13)9-12-4-6-14(15)7-5-12;/h4-7,11,13H,2-3,8-10,16H2,1H3;1H.
What are the key properties of 1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 380.70 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)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).