2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C17H25ClN4 — CID 120728732

IUPAC2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C17H24N4.ClH/c18-8-7-15-2-1-10-20(12-15)13-16-3-5-17(6-4-16)21-11-9-19-14-21;/h3-6,9,11,14-15H,1-2,7-8,10,12-13,18H2;1H
InChIKeyDWRIXZUAUITBPJ-UHFFFAOYSA-N
MW320.87 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728732) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728732
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C17H24N4.ClH/c18-8-7-15-2-1-10-20(12-15)13-16-3-5-17(6-4-16)21-11-9-19-14-21;/h3-6,9,11,14-15H,1-2,7-8,10,12-13,18H2;1H
InChIKeyDWRIXZUAUITBPJ-UHFFFAOYSA-N
XLogP2.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
CID 56701602
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 97119273
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728732) is 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is DWRIXZUAUITBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.ClH/c18-8-7-15-2-1-10-20(12-15)13-16-3-5-17(6-4-16)21-11-9-19-14-21;/h3-6,9,11,14-15H,1-2,7-8,10,12-13,18H2;1H.
What are the key properties of 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).