[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride

C17H25ClN4 — CID 120841155

IUPAC[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2nccn2-c2ccccc2)C1CN.Cl
InChIInChI=1S/C17H24N4.ClH/c1-14-6-5-10-20(16(14)12-18)13-17-19-9-11-21(17)15-7-3-2-4-8-15;/h2-4,7-9,11,14,16H,5-6,10,12-13,18H2,1H3;1H
InChIKeyPIFPRSCWBYVDDC-UHFFFAOYSA-N
MW320.87 g/mol
LogP2.85
Rot. Bonds4

About [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride

[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120841155) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID120841155
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2nccn2-c2ccccc2)C1CN.Cl
InChIInChI=1S/C17H24N4.ClH/c1-14-6-5-10-20(16(14)12-18)13-17-19-9-11-21(17)15-7-3-2-4-8-15;/h2-4,7-9,11,14,16H,5-6,10,12-13,18H2,1H3;1H
InChIKeyPIFPRSCWBYVDDC-UHFFFAOYSA-N
XLogP2.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 120841155) is [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2nccn2-c2ccccc2)C1CN.Cl.
What is the InChIKey of [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is PIFPRSCWBYVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.ClH/c1-14-6-5-10-20(16(14)12-18)13-17-19-9-11-21(17)15-7-3-2-4-8-15;/h2-4,7-9,11,14,16H,5-6,10,12-13,18H2,1H3;1H.
What are the key properties of [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120841155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).